2-[4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]piperidin-1-yl]-N-tert-butylacetamide

C18H35N5O — CID 111859823

IUPAC2-[4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]piperidin-1-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1CCC(C/N=C(\N)N2CCCCC2)CC1
InChIInChI=1S/C18H35N5O/c1-18(2,3)21-16(24)14-22-11-7-15(8-12-22)13-20-17(19)23-9-5-4-6-10-23/h15H,4-14H2,1-3H3,(H2,19,20)(H,21,24)
InChIKeyRPANBEYPNSNBAS-UHFFFAOYSA-N
MW337.51 g/mol
LogP1.41
Rot. Bonds4

About 2-[4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]piperidin-1-yl]-N-tert-butylacetamide

2-[4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]piperidin-1-yl]-N-tert-butylacetamide (PubChem CID 111859823) has the molecular formula C18H35N5O and a molecular weight of 337.51 g/mol. Its IUPAC name is 2-[4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]piperidin-1-yl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]piperidin-1-yl]-N-tert-butylacetamide
PubChem CID111859823
Molecular FormulaC18H35N5O
Molecular Weight337.51 g/mol
Exact Mass337.28
IUPAC Name2-[4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]piperidin-1-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1CCC(C/N=C(\N)N2CCCCC2)CC1
InChIInChI=1S/C18H35N5O/c1-18(2,3)21-16(24)14-22-11-7-15(8-12-22)13-20-17(19)23-9-5-4-6-10-23/h15H,4-14H2,1-3H3,(H2,19,20)(H,21,24)
InChIKeyRPANBEYPNSNBAS-UHFFFAOYSA-N
XLogP1.41
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[[amino-(propan-2-ylamino)methylidene]amino]methyl]piperidin-1-yl]-N-tert-butylacetamide
CID 111859795
2-[4-[[[amino(propylamino)methylidene]amino]methyl]piperidin-1-yl]-N-tert-butylacetamide;hydroiodide
CID 111859814
tert-butyl 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]piperidine-1-carboxylate
CID 111063054
2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
CID 111034623
2-[4-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]piperidin-1-yl]-N-tert-butylacetamide;hydroiodide
CID 111859766
2-(azepan-1-yl)-N-tert-butylacetamide
CID 18877375
2-(4-aminopiperidin-1-yl)-N-tert-butylacetamide;dihydrochloride
CID 56773517
tert-butyl 3-[[[amino(piperidin-1-yl)methylidene]amino]methyl]pyrrolidine-1-carboxylate
CID 110032358
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide
CID 78808255
tert-butyl 3-[[[amino(azepan-1-yl)methylidene]amino]methyl]pyrrolidine-1-carboxylate;hydroiodide
CID 110032291
2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide
CID 81492142
N'-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]azepane-1-carboximidamide;hydroiodide
CID 75495275

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]piperidin-1-yl]-N-tert-butylacetamide?
The IUPAC name of 2-[4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]piperidin-1-yl]-N-tert-butylacetamide (CID 111859823) is 2-[4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]piperidin-1-yl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]piperidin-1-yl]-N-tert-butylacetamide?
The canonical SMILES for 2-[4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]piperidin-1-yl]-N-tert-butylacetamide is CC(C)(C)NC(=O)CN1CCC(C/N=C(\N)N2CCCCC2)CC1.
What is the InChIKey of 2-[4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]piperidin-1-yl]-N-tert-butylacetamide?
The InChIKey is RPANBEYPNSNBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5O/c1-18(2,3)21-16(24)14-22-11-7-15(8-12-22)13-20-17(19)23-9-5-4-6-10-23/h15H,4-14H2,1-3H3,(H2,19,20)(H,21,24).
What are the key properties of 2-[4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]piperidin-1-yl]-N-tert-butylacetamide?
2-[4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]piperidin-1-yl]-N-tert-butylacetamide has a molecular weight of 337.51 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]piperidin-1-yl]-N-tert-butylacetamide is sourced from PubChem (CID 111859823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).