N,2-dimethyl-N-(methylideneamino)propan-2-amine;3-[4-[1-[8-[4-(2-methylpyrimidin-5-yl)piperidin-1-yl]-8-oxooctyl]piperidin-4-yl]anilino]piperidine-2,6-dione

C40H62N8O3 — CID 177160652

IUPACN,2-dimethyl-N-(methylideneamino)propan-2-amine;3-[4-[1-[8-[4-(2-methylpyrimidin-5-yl)piperidin-1-yl]-8-oxooctyl]piperidin-4-yl]anilino]piperidine-2,6-dione
SMILESC=NN(C)C(C)(C)C.Cc1ncc(C2CCN(C(=O)CCCCCCCN3CCC(c4ccc(NC5CCC(=O)NC5=O)cc4)CC3)CC2)cn1
InChIInChI=1S/C34H48N6O3.C6H14N2/c1-25-35-23-29(24-36-25)28-16-21-40(22-17-28)33(42)7-5-3-2-4-6-18-39-19-14-27(15-20-39)26-8-10-30(11-9-26)37-31-12-13-32(41)38-34(31)43;1-6(2,3)8(5)7-4/h8-11,23-24,27-28,31,37H,2-7,12-22H2,1H3,(H,38,41,43);4H2,1-3,5H3
InChIKeyMNZYBRLKXRXDOS-UHFFFAOYSA-N
MW702.99 g/mol
LogP6.26
Rot. Bonds13

About N,2-dimethyl-N-(methylideneamino)propan-2-amine;3-[4-[1-[8-[4-(2-methylpyrimidin-5-yl)piperidin-1-yl]-8-oxooctyl]piperidin-4-yl]anilino]piperidine-2,6-dione

N,2-dimethyl-N-(methylideneamino)propan-2-amine;3-[4-[1-[8-[4-(2-methylpyrimidin-5-yl)piperidin-1-yl]-8-oxooctyl]piperidin-4-yl]anilino]piperidine-2,6-dione (PubChem CID 177160652) has the molecular formula C40H62N8O3 and a molecular weight of 702.99 g/mol. Its IUPAC name is N,2-dimethyl-N-(methylideneamino)propan-2-amine;3-[4-[1-[8-[4-(2-methylpyrimidin-5-yl)piperidin-1-yl]-8-oxooctyl]piperidin-4-yl]anilino]piperidine-2,6-dione.

Molecular Properties

Compound NameN,2-dimethyl-N-(methylideneamino)propan-2-amine;3-[4-[1-[8-[4-(2-methylpyrimidin-5-yl)piperidin-1-yl]-8-oxooctyl]piperidin-4-yl]anilino]piperidine-2,6-dione
PubChem CID177160652
Molecular FormulaC40H62N8O3
Molecular Weight702.99 g/mol
Exact Mass702.49
IUPAC NameN,2-dimethyl-N-(methylideneamino)propan-2-amine;3-[4-[1-[8-[4-(2-methylpyrimidin-5-yl)piperidin-1-yl]-8-oxooctyl]piperidin-4-yl]anilino]piperidine-2,6-dione
SMILESC=NN(C)C(C)(C)C.Cc1ncc(C2CCN(C(=O)CCCCCCCN3CCC(c4ccc(NC5CCC(=O)NC5=O)cc4)CC3)CC2)cn1
InChIInChI=1S/C34H48N6O3.C6H14N2/c1-25-35-23-29(24-36-25)28-16-21-40(22-17-28)33(42)7-5-3-2-4-6-18-39-19-14-27(15-20-39)26-8-10-30(11-9-26)37-31-12-13-32(41)38-34(31)43;1-6(2,3)8(5)7-4/h8-11,23-24,27-28,31,37H,2-7,12-22H2,1H3,(H,38,41,43);4H2,1-3,5H3
InChIKeyMNZYBRLKXRXDOS-UHFFFAOYSA-N
XLogP6.26
TPSA123.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.99
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N,2-dimethyl-N-(methylideneamino)propan-2-amine;3-[4-[1-[8-[4-(2-methylpyrimidin-5-yl)piperidin-1-yl]-8-oxooctyl]piperidin-4-yl]anilino]piperidine-2,6-dione with MolForge

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Related Compounds

tert-butyl 4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidine-1-carboxylate
CID 172591640
(3S)-3-[4-[1-(2-oxo-2-piperazin-1-ylethyl)piperidin-4-yl]anilino]piperidine-2,6-dione
CID 175885718
3-[4-[1-[6-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-6-oxohexyl]piperidin-4-yl]anilino]piperidine-2,6-dione
CID 164720212
tert-butyl 1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidine-4-carboxylate
CID 172591957
2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]piperidin-1-yl]acetic acid;hydrochloride
CID 175756578
O-tert-butyl 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carbothioate
CID 177363967
tert-butyl 3-[[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]amino]pyrrolidine-1-carboxylate
CID 164720239
2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid
CID 171108561
2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]-N-[1-[6-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-6-oxohexanoyl]piperidin-4-yl]acetamide
CID 166729660
3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione
CID 170749885
3-[[5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrimidin-2-yl]amino]piperidine-2,6-dione
CID 166472189
tert-butyl 3-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]propanoate
CID 170770822

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(methylideneamino)propan-2-amine;3-[4-[1-[8-[4-(2-methylpyrimidin-5-yl)piperidin-1-yl]-8-oxooctyl]piperidin-4-yl]anilino]piperidine-2,6-dione?
The IUPAC name of N,2-dimethyl-N-(methylideneamino)propan-2-amine;3-[4-[1-[8-[4-(2-methylpyrimidin-5-yl)piperidin-1-yl]-8-oxooctyl]piperidin-4-yl]anilino]piperidine-2,6-dione (CID 177160652) is N,2-dimethyl-N-(methylideneamino)propan-2-amine;3-[4-[1-[8-[4-(2-methylpyrimidin-5-yl)piperidin-1-yl]-8-oxooctyl]piperidin-4-yl]anilino]piperidine-2,6-dione.
What is the SMILES notation for N,2-dimethyl-N-(methylideneamino)propan-2-amine;3-[4-[1-[8-[4-(2-methylpyrimidin-5-yl)piperidin-1-yl]-8-oxooctyl]piperidin-4-yl]anilino]piperidine-2,6-dione?
The canonical SMILES for N,2-dimethyl-N-(methylideneamino)propan-2-amine;3-[4-[1-[8-[4-(2-methylpyrimidin-5-yl)piperidin-1-yl]-8-oxooctyl]piperidin-4-yl]anilino]piperidine-2,6-dione is C=NN(C)C(C)(C)C.Cc1ncc(C2CCN(C(=O)CCCCCCCN3CCC(c4ccc(NC5CCC(=O)NC5=O)cc4)CC3)CC2)cn1.
What is the InChIKey of N,2-dimethyl-N-(methylideneamino)propan-2-amine;3-[4-[1-[8-[4-(2-methylpyrimidin-5-yl)piperidin-1-yl]-8-oxooctyl]piperidin-4-yl]anilino]piperidine-2,6-dione?
The InChIKey is MNZYBRLKXRXDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48N6O3.C6H14N2/c1-25-35-23-29(24-36-25)28-16-21-40(22-17-28)33(42)7-5-3-2-4-6-18-39-19-14-27(15-20-39)26-8-10-30(11-9-26)37-31-12-13-32(41)38-34(31)43;1-6(2,3)8(5)7-4/h8-11,23-24,27-28,31,37H,2-7,12-22H2,1H3,(H,38,41,43);4H2,1-3,5H3.
What are the key properties of N,2-dimethyl-N-(methylideneamino)propan-2-amine;3-[4-[1-[8-[4-(2-methylpyrimidin-5-yl)piperidin-1-yl]-8-oxooctyl]piperidin-4-yl]anilino]piperidine-2,6-dione?
N,2-dimethyl-N-(methylideneamino)propan-2-amine;3-[4-[1-[8-[4-(2-methylpyrimidin-5-yl)piperidin-1-yl]-8-oxooctyl]piperidin-4-yl]anilino]piperidine-2,6-dione has a molecular weight of 702.99 g/mol, XLogP of 6.26, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(methylideneamino)propan-2-amine;3-[4-[1-[8-[4-(2-methylpyrimidin-5-yl)piperidin-1-yl]-8-oxooctyl]piperidin-4-yl]anilino]piperidine-2,6-dione is sourced from PubChem (CID 177160652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).