N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylcyclopentan-1-amine

C16H29N3 — CID 167048108

IUPACN-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylcyclopentan-1-amine
SMILES[H]/N=C(\C=C(\C)NC1CCCC1C)N1CCCCC1C
InChIInChI=1S/C16H29N3/c1-12-7-6-9-15(12)18-13(2)11-16(17)19-10-5-4-8-14(19)3/h11-12,14-15,17-18H,4-10H2,1-3H3/b13-11-,17-16+
InChIKeyNMVBTXAGKQKJFL-YHQKBTMFSA-N
MW263.43 g/mol
LogP3.52
Rot. Bonds3

About N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylcyclopentan-1-amine

N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylcyclopentan-1-amine (PubChem CID 167048108) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylcyclopentan-1-amine
PubChem CID167048108
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylcyclopentan-1-amine
SMILES[H]/N=C(\C=C(\C)NC1CCCC1C)N1CCCCC1C
InChIInChI=1S/C16H29N3/c1-12-7-6-9-15(12)18-13(2)11-16(17)19-10-5-4-8-14(19)3/h11-12,14-15,17-18H,4-10H2,1-3H3/b13-11-,17-16+
InChIKeyNMVBTXAGKQKJFL-YHQKBTMFSA-N
XLogP3.52
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylcyclopentan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2-methylcyclopentan-1-amine
CID 163276634
N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylpentan-3-amine
CID 167047788
N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-4-methylpentan-2-amine
CID 167047796
4-(2-cyclopentylazepan-1-yl)-N-ethyl-4-iminobut-2-en-2-amine
CID 174023151

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylcyclopentan-1-amine (CID 167048108) is N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylcyclopentan-1-amine is [H]/N=C(\C=C(\C)NC1CCCC1C)N1CCCCC1C.
What is the InChIKey of N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylcyclopentan-1-amine?
The InChIKey is NMVBTXAGKQKJFL-YHQKBTMFSA-N. The full InChI is InChI=1S/C16H29N3/c1-12-7-6-9-15(12)18-13(2)11-16(17)19-10-5-4-8-14(19)3/h11-12,14-15,17-18H,4-10H2,1-3H3/b13-11-,17-16+.
What are the key properties of N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylcyclopentan-1-amine?
N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylcyclopentan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 167048108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).