(1E,7E)-4-ethenyl-6-ethyl-2-[methyl(methylamino)amino]deca-1,7-dien-1-amine

C16H31N3 — CID 155129977

IUPAC(1E,7E)-4-ethenyl-6-ethyl-2-[methyl(methylamino)amino]deca-1,7-dien-1-amine
SMILESC=CC(C/C(=C\N)N(C)NC)CC(/C=C/CC)CC
InChIInChI=1S/C16H31N3/c1-6-9-10-14(7-2)11-15(8-3)12-16(13-17)19(5)18-4/h8-10,13-15,18H,3,6-7,11-12,17H2,1-2,4-5H3/b10-9+,16-13+
InChIKeyMINORQSJUDBTHZ-FVTBZGPOSA-N
MW265.44 g/mol
LogP3.43
Rot. Bonds10

About (1E,7E)-4-ethenyl-6-ethyl-2-[methyl(methylamino)amino]deca-1,7-dien-1-amine

(1E,7E)-4-ethenyl-6-ethyl-2-[methyl(methylamino)amino]deca-1,7-dien-1-amine (PubChem CID 155129977) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is (1E,7E)-4-ethenyl-6-ethyl-2-[methyl(methylamino)amino]deca-1,7-dien-1-amine.

Molecular Properties

Compound Name(1E,7E)-4-ethenyl-6-ethyl-2-[methyl(methylamino)amino]deca-1,7-dien-1-amine
PubChem CID155129977
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name(1E,7E)-4-ethenyl-6-ethyl-2-[methyl(methylamino)amino]deca-1,7-dien-1-amine
SMILESC=CC(C/C(=C\N)N(C)NC)CC(/C=C/CC)CC
InChIInChI=1S/C16H31N3/c1-6-9-10-14(7-2)11-15(8-3)12-16(13-17)19(5)18-4/h8-10,13-15,18H,3,6-7,11-12,17H2,1-2,4-5H3/b10-9+,16-13+
InChIKeyMINORQSJUDBTHZ-FVTBZGPOSA-N
XLogP3.43
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,7E)-4-ethenyl-6-ethyl-2-[methyl(methylamino)amino]deca-1,7-dien-1-amine?
The IUPAC name of (1E,7E)-4-ethenyl-6-ethyl-2-[methyl(methylamino)amino]deca-1,7-dien-1-amine (CID 155129977) is (1E,7E)-4-ethenyl-6-ethyl-2-[methyl(methylamino)amino]deca-1,7-dien-1-amine.
What is the SMILES notation for (1E,7E)-4-ethenyl-6-ethyl-2-[methyl(methylamino)amino]deca-1,7-dien-1-amine?
The canonical SMILES for (1E,7E)-4-ethenyl-6-ethyl-2-[methyl(methylamino)amino]deca-1,7-dien-1-amine is C=CC(C/C(=C\N)N(C)NC)CC(/C=C/CC)CC.
What is the InChIKey of (1E,7E)-4-ethenyl-6-ethyl-2-[methyl(methylamino)amino]deca-1,7-dien-1-amine?
The InChIKey is MINORQSJUDBTHZ-FVTBZGPOSA-N. The full InChI is InChI=1S/C16H31N3/c1-6-9-10-14(7-2)11-15(8-3)12-16(13-17)19(5)18-4/h8-10,13-15,18H,3,6-7,11-12,17H2,1-2,4-5H3/b10-9+,16-13+.
What are the key properties of (1E,7E)-4-ethenyl-6-ethyl-2-[methyl(methylamino)amino]deca-1,7-dien-1-amine?
(1E,7E)-4-ethenyl-6-ethyl-2-[methyl(methylamino)amino]deca-1,7-dien-1-amine has a molecular weight of 265.44 g/mol, XLogP of 3.43, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,7E)-4-ethenyl-6-ethyl-2-[methyl(methylamino)amino]deca-1,7-dien-1-amine is sourced from PubChem (CID 155129977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).