(2E,4Z,6E)-N-butyl-N,5-dimethylnona-2,4,6-trien-2-amine

C15H27N — CID 166923759

IUPAC(2E,4Z,6E)-N-butyl-N,5-dimethylnona-2,4,6-trien-2-amine
SMILESCC/C=C/C(C)=C\C=C(/C)N(C)CCCC
InChIInChI=1S/C15H27N/c1-6-8-10-14(3)11-12-15(4)16(5)13-9-7-2/h8,10-12H,6-7,9,13H2,1-5H3/b10-8+,14-11-,15-12+
InChIKeyBRCVMHUXQNDJTC-FQGCSAPPSA-N
MW221.39 g/mol
LogP4.53
Rot. Bonds7

About (2E,4Z,6E)-N-butyl-N,5-dimethylnona-2,4,6-trien-2-amine

(2E,4Z,6E)-N-butyl-N,5-dimethylnona-2,4,6-trien-2-amine (PubChem CID 166923759) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (2E,4Z,6E)-N-butyl-N,5-dimethylnona-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4Z,6E)-N-butyl-N,5-dimethylnona-2,4,6-trien-2-amine
PubChem CID166923759
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(2E,4Z,6E)-N-butyl-N,5-dimethylnona-2,4,6-trien-2-amine
SMILESCC/C=C/C(C)=C\C=C(/C)N(C)CCCC
InChIInChI=1S/C15H27N/c1-6-8-10-14(3)11-12-15(4)16(5)13-9-7-2/h8,10-12H,6-7,9,13H2,1-5H3/b10-8+,14-11-,15-12+
InChIKeyBRCVMHUXQNDJTC-FQGCSAPPSA-N
XLogP4.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.53
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 (2E,4Z,6E)-N-butyl-N,5-dimethylnona-2,4,6-trien-2-amine?
The IUPAC name of (2E,4Z,6E)-N-butyl-N,5-dimethylnona-2,4,6-trien-2-amine (CID 166923759) is (2E,4Z,6E)-N-butyl-N,5-dimethylnona-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4Z,6E)-N-butyl-N,5-dimethylnona-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4Z,6E)-N-butyl-N,5-dimethylnona-2,4,6-trien-2-amine is CC/C=C/C(C)=C\C=C(/C)N(C)CCCC.
What is the InChIKey of (2E,4Z,6E)-N-butyl-N,5-dimethylnona-2,4,6-trien-2-amine?
The InChIKey is BRCVMHUXQNDJTC-FQGCSAPPSA-N. The full InChI is InChI=1S/C15H27N/c1-6-8-10-14(3)11-12-15(4)16(5)13-9-7-2/h8,10-12H,6-7,9,13H2,1-5H3/b10-8+,14-11-,15-12+.
What are the key properties of (2E,4Z,6E)-N-butyl-N,5-dimethylnona-2,4,6-trien-2-amine?
(2E,4Z,6E)-N-butyl-N,5-dimethylnona-2,4,6-trien-2-amine has a molecular weight of 221.39 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E)-N-butyl-N,5-dimethylnona-2,4,6-trien-2-amine is sourced from PubChem (CID 166923759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).