7-methyl-N-propan-2-yloct-4-en-1-amine

C12H25N — CID 123468037

IUPAC7-methyl-N-propan-2-yloct-4-en-1-amine
SMILESCC(C)CC=CCCCNC(C)C
InChIInChI=1S/C12H25N/c1-11(2)9-7-5-6-8-10-13-12(3)4/h5,7,11-13H,6,8-10H2,1-4H3
InChIKeyTWHDJJHVRLIYSZ-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.37
Rot. Bonds7

About 7-methyl-N-propan-2-yloct-4-en-1-amine

7-methyl-N-propan-2-yloct-4-en-1-amine (PubChem CID 123468037) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 7-methyl-N-propan-2-yloct-4-en-1-amine.

Molecular Properties

Compound Name7-methyl-N-propan-2-yloct-4-en-1-amine
PubChem CID123468037
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name7-methyl-N-propan-2-yloct-4-en-1-amine
SMILESCC(C)CC=CCCCNC(C)C
InChIInChI=1S/C12H25N/c1-11(2)9-7-5-6-8-10-13-12(3)4/h5,7,11-13H,6,8-10H2,1-4H3
InChIKeyTWHDJJHVRLIYSZ-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 22297
Dexisometheptene
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Isometheptene-mucate
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(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
4-Hexenylamine, N,1,2,5-tetramethyl-
CID 49627
4-Hexenylamine, N,1-dimethyl-
CID 6435019
Pyridine, 1,2,5,6-tetrahydro-5-isopropyl-
CID 23423760
6-Methyl-2-propylamino-5-heptene
CID 12541942
(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 1272098
2,6-Bis-(2-methyl-allyl)-1,2,3,6-tetrahydro-pyridine
CID 3123936

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-propan-2-yloct-4-en-1-amine?
The IUPAC name of 7-methyl-N-propan-2-yloct-4-en-1-amine (CID 123468037) is 7-methyl-N-propan-2-yloct-4-en-1-amine.
What is the SMILES notation for 7-methyl-N-propan-2-yloct-4-en-1-amine?
The canonical SMILES for 7-methyl-N-propan-2-yloct-4-en-1-amine is CC(C)CC=CCCCNC(C)C.
What is the InChIKey of 7-methyl-N-propan-2-yloct-4-en-1-amine?
The InChIKey is TWHDJJHVRLIYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-11(2)9-7-5-6-8-10-13-12(3)4/h5,7,11-13H,6,8-10H2,1-4H3.
What are the key properties of 7-methyl-N-propan-2-yloct-4-en-1-amine?
7-methyl-N-propan-2-yloct-4-en-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-propan-2-yloct-4-en-1-amine is sourced from PubChem (CID 123468037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).