(1E,3E)-N-ethyl-2,3,4-trimethylhepta-1,3-dien-1-amine

C12H23N — CID 145174387

IUPAC(1E,3E)-N-ethyl-2,3,4-trimethylhepta-1,3-dien-1-amine
SMILESCCC/C(C)=C(C)/C(C)=C/NCC
InChIInChI=1S/C12H23N/c1-6-8-10(3)12(5)11(4)9-13-7-2/h9,13H,6-8H2,1-5H3/b11-9+,12-10+
InChIKeyCNNMQSAZIMMZJS-WGDLNXRISA-N
MW181.32 g/mol
LogP3.64
Rot. Bonds5

About (1E,3E)-N-ethyl-2,3,4-trimethylhepta-1,3-dien-1-amine

(1E,3E)-N-ethyl-2,3,4-trimethylhepta-1,3-dien-1-amine (PubChem CID 145174387) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (1E,3E)-N-ethyl-2,3,4-trimethylhepta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-N-ethyl-2,3,4-trimethylhepta-1,3-dien-1-amine
PubChem CID145174387
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(1E,3E)-N-ethyl-2,3,4-trimethylhepta-1,3-dien-1-amine
SMILESCCC/C(C)=C(C)/C(C)=C/NCC
InChIInChI=1S/C12H23N/c1-6-8-10(3)12(5)11(4)9-13-7-2/h9,13H,6-8H2,1-5H3/b11-9+,12-10+
InChIKeyCNNMQSAZIMMZJS-WGDLNXRISA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(E)-4,5-dimethyloct-4-ene
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(Z)-5,6-dimethylnon-5-en-4-one
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ethyl 2-[[(E)-2-methyl-3-oxohex-1-enyl]amino]acetate
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(Z)-N-ethyl-N',2-dimethylprop-1-ene-1,3-diamine
CID 163865379
2,3-dimethylhex-2-ene;ethane
CID 144601748
2,2-dichloro-N-ethylethenamine;hydrochloride
CID 173449722
(1Z)-N-ethyl-2-methylpenta-1,4-dien-1-amine
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N-[(E)-3-methylhex-2-en-2-yl]methanethioamide
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6,7-dimethyldeca-2,6-diene
CID 91199113

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-N-ethyl-2,3,4-trimethylhepta-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-N-ethyl-2,3,4-trimethylhepta-1,3-dien-1-amine (CID 145174387) is (1E,3E)-N-ethyl-2,3,4-trimethylhepta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-N-ethyl-2,3,4-trimethylhepta-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-N-ethyl-2,3,4-trimethylhepta-1,3-dien-1-amine is CCC/C(C)=C(C)/C(C)=C/NCC.
What is the InChIKey of (1E,3E)-N-ethyl-2,3,4-trimethylhepta-1,3-dien-1-amine?
The InChIKey is CNNMQSAZIMMZJS-WGDLNXRISA-N. The full InChI is InChI=1S/C12H23N/c1-6-8-10(3)12(5)11(4)9-13-7-2/h9,13H,6-8H2,1-5H3/b11-9+,12-10+.
What are the key properties of (1E,3E)-N-ethyl-2,3,4-trimethylhepta-1,3-dien-1-amine?
(1E,3E)-N-ethyl-2,3,4-trimethylhepta-1,3-dien-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-N-ethyl-2,3,4-trimethylhepta-1,3-dien-1-amine is sourced from PubChem (CID 145174387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).