(Z)-N-buta-1,3-dien-2-ylhex-3-en-2-amine

C10H17N — CID 129272798

IUPAC(Z)-N-buta-1,3-dien-2-ylhex-3-en-2-amine
SMILESC=CC(=C)NC(C)/C=C\CC
InChIInChI=1S/C10H17N/c1-5-7-8-10(4)11-9(3)6-2/h6-8,10-11H,2-3,5H2,1,4H3/b8-7-
InChIKeyOYBNAMWXYSIXTA-FPLPWBNLSA-N
MW151.25 g/mol
LogP2.63
Rot. Bonds5

About (Z)-N-buta-1,3-dien-2-ylhex-3-en-2-amine

(Z)-N-buta-1,3-dien-2-ylhex-3-en-2-amine (PubChem CID 129272798) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (Z)-N-buta-1,3-dien-2-ylhex-3-en-2-amine.

Molecular Properties

Compound Name(Z)-N-buta-1,3-dien-2-ylhex-3-en-2-amine
PubChem CID129272798
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(Z)-N-buta-1,3-dien-2-ylhex-3-en-2-amine
SMILESC=CC(=C)NC(C)/C=C\CC
InChIInChI=1S/C10H17N/c1-5-7-8-10(4)11-9(3)6-2/h6-8,10-11H,2-3,5H2,1,4H3/b8-7-
InChIKeyOYBNAMWXYSIXTA-FPLPWBNLSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-buta-1,3-dien-2-ylhex-3-en-2-amine?
The IUPAC name of (Z)-N-buta-1,3-dien-2-ylhex-3-en-2-amine (CID 129272798) is (Z)-N-buta-1,3-dien-2-ylhex-3-en-2-amine.
What is the SMILES notation for (Z)-N-buta-1,3-dien-2-ylhex-3-en-2-amine?
The canonical SMILES for (Z)-N-buta-1,3-dien-2-ylhex-3-en-2-amine is C=CC(=C)NC(C)/C=C\CC.
What is the InChIKey of (Z)-N-buta-1,3-dien-2-ylhex-3-en-2-amine?
The InChIKey is OYBNAMWXYSIXTA-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H17N/c1-5-7-8-10(4)11-9(3)6-2/h6-8,10-11H,2-3,5H2,1,4H3/b8-7-.
What are the key properties of (Z)-N-buta-1,3-dien-2-ylhex-3-en-2-amine?
(Z)-N-buta-1,3-dien-2-ylhex-3-en-2-amine has a molecular weight of 151.25 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-buta-1,3-dien-2-ylhex-3-en-2-amine is sourced from PubChem (CID 129272798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).