N-methyl-1-[1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]piperidin-4-yl]methanamine

C13H23N3 — CID 163517866

IUPACN-methyl-1-[1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]piperidin-4-yl]methanamine
SMILESC=N/C=C\C(=C/C)N1CCC(CNC)CC1
InChIInChI=1S/C13H23N3/c1-4-13(5-8-14-2)16-9-6-12(7-10-16)11-15-3/h4-5,8,12,15H,2,6-7,9-11H2,1,3H3/b8-5-,13-4+
InChIKeyDIHLAFGIGZPKBA-RPMRFSCESA-N
MW221.35 g/mol
LogP2.04
Rot. Bonds5

About N-methyl-1-[1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]piperidin-4-yl]methanamine

N-methyl-1-[1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]piperidin-4-yl]methanamine (PubChem CID 163517866) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-methyl-1-[1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]piperidin-4-yl]methanamine
PubChem CID163517866
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-methyl-1-[1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]piperidin-4-yl]methanamine
SMILESC=N/C=C\C(=C/C)N1CCC(CNC)CC1
InChIInChI=1S/C13H23N3/c1-4-13(5-8-14-2)16-9-6-12(7-10-16)11-15-3/h4-5,8,12,15H,2,6-7,9-11H2,1,3H3/b8-5-,13-4+
InChIKeyDIHLAFGIGZPKBA-RPMRFSCESA-N
XLogP2.04
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-1-[1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]piperidin-4-yl]methanamine with MolForge

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Related Compounds

1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
1-[4-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one
CID 63250982
4-(methylaminomethyl)piperidine-1-carboxamide
CID 63248763
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
[4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79160945
cyclopropyl-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 169490468
N-methyl-4-(methylaminomethyl)piperidin-1-amine
CID 123789266
2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 103806634
2-(cyclopentylmethyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119543004
4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119546844
N-methyl-1-(1-methylpiperidin-4-yl)methanamine;molecular hydrogen
CID 142232985
5-[4-(methylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide
CID 119546405

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]piperidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]piperidin-4-yl]methanamine (CID 163517866) is N-methyl-1-[1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]piperidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]piperidin-4-yl]methanamine is C=N/C=C\C(=C/C)N1CCC(CNC)CC1.
What is the InChIKey of N-methyl-1-[1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]piperidin-4-yl]methanamine?
The InChIKey is DIHLAFGIGZPKBA-RPMRFSCESA-N. The full InChI is InChI=1S/C13H23N3/c1-4-13(5-8-14-2)16-9-6-12(7-10-16)11-15-3/h4-5,8,12,15H,2,6-7,9-11H2,1,3H3/b8-5-,13-4+.
What are the key properties of N-methyl-1-[1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]piperidin-4-yl]methanamine?
N-methyl-1-[1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]piperidin-4-yl]methanamine has a molecular weight of 221.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 163517866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).