(3Z)-N,N-bis(2-methylpropyl)penta-1,3-dien-2-amine

C13H25N — CID 130331308

IUPAC(3Z)-N,N-bis(2-methylpropyl)penta-1,3-dien-2-amine
SMILESC=C(/C=C\C)N(CC(C)C)CC(C)C
InChIInChI=1S/C13H25N/c1-7-8-13(6)14(9-11(2)3)10-12(4)5/h7-8,11-12H,6,9-10H2,1-5H3/b8-7-
InChIKeyJIMHKIIYKTWSIN-FPLPWBNLSA-N
MW195.35 g/mol
LogP3.69
Rot. Bonds6

About (3Z)-N,N-bis(2-methylpropyl)penta-1,3-dien-2-amine

(3Z)-N,N-bis(2-methylpropyl)penta-1,3-dien-2-amine (PubChem CID 130331308) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (3Z)-N,N-bis(2-methylpropyl)penta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N,N-bis(2-methylpropyl)penta-1,3-dien-2-amine
PubChem CID130331308
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(3Z)-N,N-bis(2-methylpropyl)penta-1,3-dien-2-amine
SMILESC=C(/C=C\C)N(CC(C)C)CC(C)C
InChIInChI=1S/C13H25N/c1-7-8-13(6)14(9-11(2)3)10-12(4)5/h7-8,11-12H,6,9-10H2,1-5H3/b8-7-
InChIKeyJIMHKIIYKTWSIN-FPLPWBNLSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N,N-bis(2-methylpropyl)penta-1,3-dien-2-amine?
The IUPAC name of (3Z)-N,N-bis(2-methylpropyl)penta-1,3-dien-2-amine (CID 130331308) is (3Z)-N,N-bis(2-methylpropyl)penta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N,N-bis(2-methylpropyl)penta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N,N-bis(2-methylpropyl)penta-1,3-dien-2-amine is C=C(/C=C\C)N(CC(C)C)CC(C)C.
What is the InChIKey of (3Z)-N,N-bis(2-methylpropyl)penta-1,3-dien-2-amine?
The InChIKey is JIMHKIIYKTWSIN-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H25N/c1-7-8-13(6)14(9-11(2)3)10-12(4)5/h7-8,11-12H,6,9-10H2,1-5H3/b8-7-.
What are the key properties of (3Z)-N,N-bis(2-methylpropyl)penta-1,3-dien-2-amine?
(3Z)-N,N-bis(2-methylpropyl)penta-1,3-dien-2-amine has a molecular weight of 195.35 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,N-bis(2-methylpropyl)penta-1,3-dien-2-amine is sourced from PubChem (CID 130331308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).