1-cyclopropyl-3-(piperidin-4-ylmethylimino)but-1-en-1-amine

C13H23N3 — CID 174288057

IUPAC1-cyclopropyl-3-(piperidin-4-ylmethylimino)but-1-en-1-amine
SMILESC/C(C=C(N)C1CC1)=N\CC1CCNCC1
InChIInChI=1S/C13H23N3/c1-10(8-13(14)12-2-3-12)16-9-11-4-6-15-7-5-11/h8,11-12,15H,2-7,9,14H2,1H3/b13-8?,16-10+
InChIKeyCOLVVRIHABQKJH-WZXZWNLMSA-N
MW221.35 g/mol
LogP1.70
Rot. Bonds4

About 1-cyclopropyl-3-(piperidin-4-ylmethylimino)but-1-en-1-amine

1-cyclopropyl-3-(piperidin-4-ylmethylimino)but-1-en-1-amine (PubChem CID 174288057) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-(piperidin-4-ylmethylimino)but-1-en-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(piperidin-4-ylmethylimino)but-1-en-1-amine
PubChem CID174288057
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-cyclopropyl-3-(piperidin-4-ylmethylimino)but-1-en-1-amine
SMILESC/C(C=C(N)C1CC1)=N\CC1CCNCC1
InChIInChI=1S/C13H23N3/c1-10(8-13(14)12-2-3-12)16-9-11-4-6-15-7-5-11/h8,11-12,15H,2-7,9,14H2,1H3/b13-8?,16-10+
InChIKeyCOLVVRIHABQKJH-WZXZWNLMSA-N
XLogP1.70
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-3-(piperidin-4-ylmethylimino)but-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

((1Z)-1-Methyl-2-(1-pyrrolin-2-yl)vinyl)(2-methylpropyl)amine
CID 11412728
N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine
CID 29925431
4-(3H-pyrrol-5-ylmethyl)piperidine
CID 54520917
4-(5-methyl-2H-pyrrol-3-yl)piperidine
CID 58578256
(Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine
CID 89095963
6-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91582344
(E)-4-piperidin-4-ylpent-3-en-2-imine
CID 123268672
(E)-4-piperidin-3-ylpent-3-en-2-imine
CID 123503371
(Z)-N-methyl-1-(1-methylpiperidin-4-yl)but-1-en-1-amine
CID 135161909
1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine
CID 141203200
N-[(Z)-but-2-en-2-yl]-1-piperidin-4-ylethanimine
CID 142088784
(Z)-1-piperidin-4-yl-N-prop-1-en-2-ylprop-1-en-1-amine
CID 142187220

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(piperidin-4-ylmethylimino)but-1-en-1-amine?
The IUPAC name of 1-cyclopropyl-3-(piperidin-4-ylmethylimino)but-1-en-1-amine (CID 174288057) is 1-cyclopropyl-3-(piperidin-4-ylmethylimino)but-1-en-1-amine.
What is the SMILES notation for 1-cyclopropyl-3-(piperidin-4-ylmethylimino)but-1-en-1-amine?
The canonical SMILES for 1-cyclopropyl-3-(piperidin-4-ylmethylimino)but-1-en-1-amine is C/C(C=C(N)C1CC1)=N\CC1CCNCC1.
What is the InChIKey of 1-cyclopropyl-3-(piperidin-4-ylmethylimino)but-1-en-1-amine?
The InChIKey is COLVVRIHABQKJH-WZXZWNLMSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(8-13(14)12-2-3-12)16-9-11-4-6-15-7-5-11/h8,11-12,15H,2-7,9,14H2,1H3/b13-8?,16-10+.
What are the key properties of 1-cyclopropyl-3-(piperidin-4-ylmethylimino)but-1-en-1-amine?
1-cyclopropyl-3-(piperidin-4-ylmethylimino)but-1-en-1-amine has a molecular weight of 221.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(piperidin-4-ylmethylimino)but-1-en-1-amine is sourced from PubChem (CID 174288057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).