(Z)-5-methyl-N-(3-methylbutyl)hex-2-en-1-amine

C12H25N — CID 177068155

IUPAC(Z)-5-methyl-N-(3-methylbutyl)hex-2-en-1-amine
SMILESCC(C)C/C=C\CNCCC(C)C
InChIInChI=1S/C12H25N/c1-11(2)7-5-6-9-13-10-8-12(3)4/h5-6,11-13H,7-10H2,1-4H3/b6-5-
InChIKeyKUOWXLGREZCUBA-WAYWQWQTSA-N
MW183.34 g/mol
LogP3.22
Rot. Bonds7

About (Z)-5-methyl-N-(3-methylbutyl)hex-2-en-1-amine

(Z)-5-methyl-N-(3-methylbutyl)hex-2-en-1-amine (PubChem CID 177068155) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (Z)-5-methyl-N-(3-methylbutyl)hex-2-en-1-amine.

Molecular Properties

Compound Name(Z)-5-methyl-N-(3-methylbutyl)hex-2-en-1-amine
PubChem CID177068155
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(Z)-5-methyl-N-(3-methylbutyl)hex-2-en-1-amine
SMILESCC(C)C/C=C\CNCCC(C)C
InChIInChI=1S/C12H25N/c1-11(2)7-5-6-9-13-10-8-12(3)4/h5-6,11-13H,7-10H2,1-4H3/b6-5-
InChIKeyKUOWXLGREZCUBA-WAYWQWQTSA-N
XLogP3.22
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 ≤ 53.22
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

(3,7,11-Trimethyl-dodeca-2,6,10-trienyl)-(2,6,10-trimethyl-undeca-5,9-dienyl)-amine
CID 10431909
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
Pyridine, 1,2,5,6-tetrahydro-5-isopropyl-
CID 23423760
2-(Cyclopenta-2,4-dien-1-yl)-N-methylethanamine
CID 12109886
(Z)-N-ethyl-2-fluorohept-4-en-1-amine
CID 132224772
(5E)-6-fluoro-N,4-dimethylnona-1,5-dien-3-amine
CID 134365669
(2S)-N,2-diethyl-3-fluorohex-4-en-1-amine
CID 134441528
(2Z,5Z)-7-fluoro-N,2,3,4-tetramethylhepta-2,5-dien-1-amine
CID 167084262
(Z)-5-fluoro-5-methyl-N-(2-methylpropyl)hex-2-en-1-amine
CID 167199888
(Z)-5-fluoro-N,N'-dimethyl-N'-(2-methylpentyl)hept-2-ene-1,7-diamine
CID 169880743
(Z)-2-ethyl-3-fluoro-N-methylhex-4-en-1-amine
CID 170132026
N-ethyl-2-(fluoromethyl)pent-4-en-1-amine
CID 174262352

Frequently Asked Questions

What is the IUPAC name of (Z)-5-methyl-N-(3-methylbutyl)hex-2-en-1-amine?
The IUPAC name of (Z)-5-methyl-N-(3-methylbutyl)hex-2-en-1-amine (CID 177068155) is (Z)-5-methyl-N-(3-methylbutyl)hex-2-en-1-amine.
What is the SMILES notation for (Z)-5-methyl-N-(3-methylbutyl)hex-2-en-1-amine?
The canonical SMILES for (Z)-5-methyl-N-(3-methylbutyl)hex-2-en-1-amine is CC(C)C/C=C\CNCCC(C)C.
What is the InChIKey of (Z)-5-methyl-N-(3-methylbutyl)hex-2-en-1-amine?
The InChIKey is KUOWXLGREZCUBA-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H25N/c1-11(2)7-5-6-9-13-10-8-12(3)4/h5-6,11-13H,7-10H2,1-4H3/b6-5-.
What are the key properties of (Z)-5-methyl-N-(3-methylbutyl)hex-2-en-1-amine?
(Z)-5-methyl-N-(3-methylbutyl)hex-2-en-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-N-(3-methylbutyl)hex-2-en-1-amine is sourced from PubChem (CID 177068155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).