(1E,3Z)-4-methyl-N-propan-2-ylocta-1,3-dien-1-amine

C12H23N — CID 144585252

IUPAC(1E,3Z)-4-methyl-N-propan-2-ylocta-1,3-dien-1-amine
SMILESCCCC/C(C)=C\C=C\NC(C)C
InChIInChI=1S/C12H23N/c1-5-6-8-12(4)9-7-10-13-11(2)3/h7,9-11,13H,5-6,8H2,1-4H3/b10-7+,12-9-
InChIKeyCOQSVQKRNXXANL-MLLAUDNSSA-N
MW181.32 g/mol
LogP3.63
Rot. Bonds6

About (1E,3Z)-4-methyl-N-propan-2-ylocta-1,3-dien-1-amine

(1E,3Z)-4-methyl-N-propan-2-ylocta-1,3-dien-1-amine (PubChem CID 144585252) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (1E,3Z)-4-methyl-N-propan-2-ylocta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-4-methyl-N-propan-2-ylocta-1,3-dien-1-amine
PubChem CID144585252
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(1E,3Z)-4-methyl-N-propan-2-ylocta-1,3-dien-1-amine
SMILESCCCC/C(C)=C\C=C\NC(C)C
InChIInChI=1S/C12H23N/c1-5-6-8-12(4)9-7-10-13-11(2)3/h7,9-11,13H,5-6,8H2,1-4H3/b10-7+,12-9-
InChIKeyCOQSVQKRNXXANL-MLLAUDNSSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.63
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

3-ethyl-7-methylundeca-4,6-diene
CID 123921813
(2E,4E)-5-methyldeca-2,4-diene
CID 14899750
(6E,8E)-6,9-dimethyltetradeca-6,8-diene
CID 16741365
(2E,4E)-5-methyldodeca-2,4-diene
CID 143978306
(2Z,4E)-5,9-dimethyldodeca-2,4-diene
CID 143714794
[(1E,3E)-4-methylocta-1,3-dienyl]benzene
CID 13273746
4-methyloct-3-ene
CID 85445337
3-methyloct-2-enal
CID 54333143
4-methylnona-1,3-diene
CID 71327710
4-methyltetradec-3-en-2-ol
CID 71428210
3,7-dimethyldeca-1,4,6-triene
CID 123725882
(E,3S)-3,5-dimethylnon-4-enal
CID 100974703

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-4-methyl-N-propan-2-ylocta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-4-methyl-N-propan-2-ylocta-1,3-dien-1-amine (CID 144585252) is (1E,3Z)-4-methyl-N-propan-2-ylocta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-4-methyl-N-propan-2-ylocta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-4-methyl-N-propan-2-ylocta-1,3-dien-1-amine is CCCC/C(C)=C\C=C\NC(C)C.
What is the InChIKey of (1E,3Z)-4-methyl-N-propan-2-ylocta-1,3-dien-1-amine?
The InChIKey is COQSVQKRNXXANL-MLLAUDNSSA-N. The full InChI is InChI=1S/C12H23N/c1-5-6-8-12(4)9-7-10-13-11(2)3/h7,9-11,13H,5-6,8H2,1-4H3/b10-7+,12-9-.
What are the key properties of (1E,3Z)-4-methyl-N-propan-2-ylocta-1,3-dien-1-amine?
(1E,3Z)-4-methyl-N-propan-2-ylocta-1,3-dien-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-4-methyl-N-propan-2-ylocta-1,3-dien-1-amine is sourced from PubChem (CID 144585252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).