1-(3-methylbut-2-enimidoyl)piperidin-4-amine

C10H19N3 — CID 123917113

IUPAC1-(3-methylbut-2-enimidoyl)piperidin-4-amine
SMILES[H]/N=C(\C=C(C)C)N1CCC(N)CC1
InChIInChI=1S/C10H19N3/c1-8(2)7-10(12)13-5-3-9(11)4-6-13/h7,9,12H,3-6,11H2,1-2H3/b12-10+
InChIKeyWSIKIMABNMNSCY-ZRDIBKRKSA-N
MW181.28 g/mol
LogP1.35
Rot. Bonds1

About 1-(3-methylbut-2-enimidoyl)piperidin-4-amine

1-(3-methylbut-2-enimidoyl)piperidin-4-amine (PubChem CID 123917113) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(3-methylbut-2-enimidoyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enimidoyl)piperidin-4-amine
PubChem CID123917113
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-(3-methylbut-2-enimidoyl)piperidin-4-amine
SMILES[H]/N=C(\C=C(C)C)N1CCC(N)CC1
InChIInChI=1S/C10H19N3/c1-8(2)7-10(12)13-5-3-9(11)4-6-13/h7,9,12H,3-6,11H2,1-2H3/b12-10+
InChIKeyWSIKIMABNMNSCY-ZRDIBKRKSA-N
XLogP1.35
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.35
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 1-(3-methylbut-2-enimidoyl)piperidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enimidoyl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enimidoyl)piperidin-4-amine (CID 123917113) is 1-(3-methylbut-2-enimidoyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enimidoyl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enimidoyl)piperidin-4-amine is [H]/N=C(\C=C(C)C)N1CCC(N)CC1.
What is the InChIKey of 1-(3-methylbut-2-enimidoyl)piperidin-4-amine?
The InChIKey is WSIKIMABNMNSCY-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)7-10(12)13-5-3-9(11)4-6-13/h7,9,12H,3-6,11H2,1-2H3/b12-10+.
What are the key properties of 1-(3-methylbut-2-enimidoyl)piperidin-4-amine?
1-(3-methylbut-2-enimidoyl)piperidin-4-amine has a molecular weight of 181.28 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enimidoyl)piperidin-4-amine is sourced from PubChem (CID 123917113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).