4-ethyl-5-methyl-N-(2-methylbutyl)hex-5-en-1-amine

C14H29N — CID 134419551

IUPAC4-ethyl-5-methyl-N-(2-methylbutyl)hex-5-en-1-amine
SMILESC=C(C)C(CC)CCCNCC(C)CC
InChIInChI=1S/C14H29N/c1-6-13(5)11-15-10-8-9-14(7-2)12(3)4/h13-15H,3,6-11H2,1-2,4-5H3
InChIKeyZOAZGSDSKPCJFZ-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.00
Rot. Bonds9

About 4-ethyl-5-methyl-N-(2-methylbutyl)hex-5-en-1-amine

4-ethyl-5-methyl-N-(2-methylbutyl)hex-5-en-1-amine (PubChem CID 134419551) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-(2-methylbutyl)hex-5-en-1-amine.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-(2-methylbutyl)hex-5-en-1-amine
PubChem CID134419551
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name4-ethyl-5-methyl-N-(2-methylbutyl)hex-5-en-1-amine
SMILESC=C(C)C(CC)CCCNCC(C)CC
InChIInChI=1S/C14H29N/c1-6-13(5)11-15-10-8-9-14(7-2)12(3)4/h13-15H,3,6-11H2,1-2,4-5H3
InChIKeyZOAZGSDSKPCJFZ-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.00
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-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
(E)-8-fluoro-N,2,4,7-tetramethyloct-6-en-1-amine
CID 134388221
2-Fluoro-3-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine
CID 135212630
N'-(4-ethyl-5-fluoro-2-methylidenehexyl)pentane-1,5-diamine
CID 137469562
(3R)-3-fluoro-3-prop-1-en-2-ylpiperidine
CID 154956018
(3S)-3-(fluoromethyl)-5-prop-1-en-2-ylpiperidine
CID 155399388
3-fluoro-N,2,3,4-tetramethylpent-4-en-1-amine
CID 163835903
2-(2-ethylbut-3-enyl)-N-(3-fluoropropyl)-N'-methylpropane-1,3-diamine
CID 166992031
N-(4-fluoro-2-methylidenebutyl)-2-methylpentan-1-amine
CID 167286424
(3S,4R)-3-ethenyl-2-fluoro-N,4,5-trimethylhexan-1-amine
CID 174091403
3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 10081888
2-methyl-N-prop-2-enylhex-5-en-1-amine
CID 11228913

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-N-(2-methylbutyl)hex-5-en-1-amine?
The IUPAC name of 4-ethyl-5-methyl-N-(2-methylbutyl)hex-5-en-1-amine (CID 134419551) is 4-ethyl-5-methyl-N-(2-methylbutyl)hex-5-en-1-amine.
What is the SMILES notation for 4-ethyl-5-methyl-N-(2-methylbutyl)hex-5-en-1-amine?
The canonical SMILES for 4-ethyl-5-methyl-N-(2-methylbutyl)hex-5-en-1-amine is C=C(C)C(CC)CCCNCC(C)CC.
What is the InChIKey of 4-ethyl-5-methyl-N-(2-methylbutyl)hex-5-en-1-amine?
The InChIKey is ZOAZGSDSKPCJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-6-13(5)11-15-10-8-9-14(7-2)12(3)4/h13-15H,3,6-11H2,1-2,4-5H3.
What are the key properties of 4-ethyl-5-methyl-N-(2-methylbutyl)hex-5-en-1-amine?
4-ethyl-5-methyl-N-(2-methylbutyl)hex-5-en-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-(2-methylbutyl)hex-5-en-1-amine is sourced from PubChem (CID 134419551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).