(3E)-N,N-bis(3-methylbutyl)penta-1,3-dien-2-amine

C15H29N — CID 156808455

IUPAC(3E)-N,N-bis(3-methylbutyl)penta-1,3-dien-2-amine
SMILESC=C(/C=C/C)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C15H29N/c1-7-8-15(6)16(11-9-13(2)3)12-10-14(4)5/h7-8,13-14H,6,9-12H2,1-5H3/b8-7+
InChIKeyIBCOESSWGPVETB-BQYQJAHWSA-N
MW223.40 g/mol
LogP4.47
Rot. Bonds8

About (3E)-N,N-bis(3-methylbutyl)penta-1,3-dien-2-amine

(3E)-N,N-bis(3-methylbutyl)penta-1,3-dien-2-amine (PubChem CID 156808455) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is (3E)-N,N-bis(3-methylbutyl)penta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-N,N-bis(3-methylbutyl)penta-1,3-dien-2-amine
PubChem CID156808455
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name(3E)-N,N-bis(3-methylbutyl)penta-1,3-dien-2-amine
SMILESC=C(/C=C/C)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C15H29N/c1-7-8-15(6)16(11-9-13(2)3)12-10-14(4)5/h7-8,13-14H,6,9-12H2,1-5H3/b8-7+
InChIKeyIBCOESSWGPVETB-BQYQJAHWSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.47
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 (3E)-N,N-bis(3-methylbutyl)penta-1,3-dien-2-amine?
The IUPAC name of (3E)-N,N-bis(3-methylbutyl)penta-1,3-dien-2-amine (CID 156808455) is (3E)-N,N-bis(3-methylbutyl)penta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-N,N-bis(3-methylbutyl)penta-1,3-dien-2-amine?
The canonical SMILES for (3E)-N,N-bis(3-methylbutyl)penta-1,3-dien-2-amine is C=C(/C=C/C)N(CCC(C)C)CCC(C)C.
What is the InChIKey of (3E)-N,N-bis(3-methylbutyl)penta-1,3-dien-2-amine?
The InChIKey is IBCOESSWGPVETB-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H29N/c1-7-8-15(6)16(11-9-13(2)3)12-10-14(4)5/h7-8,13-14H,6,9-12H2,1-5H3/b8-7+.
What are the key properties of (3E)-N,N-bis(3-methylbutyl)penta-1,3-dien-2-amine?
(3E)-N,N-bis(3-methylbutyl)penta-1,3-dien-2-amine has a molecular weight of 223.40 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N,N-bis(3-methylbutyl)penta-1,3-dien-2-amine is sourced from PubChem (CID 156808455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).