1-[(Z)-but-2-enimidoyl]piperidin-3-amine

C9H17N3 — CID 174360114

IUPAC1-[(Z)-but-2-enimidoyl]piperidin-3-amine
SMILES[H]/N=C(\C=C/C)N1CCCC(N)C1
InChIInChI=1S/C9H17N3/c1-2-4-9(11)12-6-3-5-8(10)7-12/h2,4,8,11H,3,5-7,10H2,1H3/b4-2-,11-9+
InChIKeyBNBMQJRSEIHVFQ-HWUGADSMSA-N
MW167.26 g/mol
LogP0.96
Rot. Bonds1

About 1-[(Z)-but-2-enimidoyl]piperidin-3-amine

1-[(Z)-but-2-enimidoyl]piperidin-3-amine (PubChem CID 174360114) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-[(Z)-but-2-enimidoyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[(Z)-but-2-enimidoyl]piperidin-3-amine
PubChem CID174360114
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-[(Z)-but-2-enimidoyl]piperidin-3-amine
SMILES[H]/N=C(\C=C/C)N1CCCC(N)C1
InChIInChI=1S/C9H17N3/c1-2-4-9(11)12-6-3-5-8(10)7-12/h2,4,8,11H,3,5-7,10H2,1H3/b4-2-,11-9+
InChIKeyBNBMQJRSEIHVFQ-HWUGADSMSA-N
XLogP0.96
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.96
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-enimidoyl]piperidin-3-amine?
The IUPAC name of 1-[(Z)-but-2-enimidoyl]piperidin-3-amine (CID 174360114) is 1-[(Z)-but-2-enimidoyl]piperidin-3-amine.
What is the SMILES notation for 1-[(Z)-but-2-enimidoyl]piperidin-3-amine?
The canonical SMILES for 1-[(Z)-but-2-enimidoyl]piperidin-3-amine is [H]/N=C(\C=C/C)N1CCCC(N)C1.
What is the InChIKey of 1-[(Z)-but-2-enimidoyl]piperidin-3-amine?
The InChIKey is BNBMQJRSEIHVFQ-HWUGADSMSA-N. The full InChI is InChI=1S/C9H17N3/c1-2-4-9(11)12-6-3-5-8(10)7-12/h2,4,8,11H,3,5-7,10H2,1H3/b4-2-,11-9+.
What are the key properties of 1-[(Z)-but-2-enimidoyl]piperidin-3-amine?
1-[(Z)-but-2-enimidoyl]piperidin-3-amine has a molecular weight of 167.26 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-enimidoyl]piperidin-3-amine is sourced from PubChem (CID 174360114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).