2-ethyl-N-(3-methylpentyl)hex-2-en-1-amine

C14H29N — CID 123890404

IUPAC2-ethyl-N-(3-methylpentyl)hex-2-en-1-amine
SMILESCCCC=C(CC)CNCCC(C)CC
InChIInChI=1S/C14H29N/c1-5-8-9-14(7-3)12-15-11-10-13(4)6-2/h9,13,15H,5-8,10-12H2,1-4H3
InChIKeySVYQKCDHRSUXCI-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.15
Rot. Bonds9

About 2-ethyl-N-(3-methylpentyl)hex-2-en-1-amine

2-ethyl-N-(3-methylpentyl)hex-2-en-1-amine (PubChem CID 123890404) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 2-ethyl-N-(3-methylpentyl)hex-2-en-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(3-methylpentyl)hex-2-en-1-amine
PubChem CID123890404
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name2-ethyl-N-(3-methylpentyl)hex-2-en-1-amine
SMILESCCCC=C(CC)CNCCC(C)CC
InChIInChI=1S/C14H29N/c1-5-8-9-14(7-3)12-15-11-10-13(4)6-2/h9,13,15H,5-8,10-12H2,1-4H3
InChIKeySVYQKCDHRSUXCI-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
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
N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]butane-1,4-diamine
CID 90126666
N'-(3,7-dimethylocta-2,6-dienyl)propane-1,3-diamine
CID 123140737
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
4-Hexenylamine, N,1,2,5-tetramethyl-
CID 49627
(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
N'-[(6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]pentane-1,5-diamine
CID 156010185
N'-[(6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]butane-1,4-diamine
CID 156021030
N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentanamine
CID 164620837
Pyridine, 1,2,5,6-tetrahydro-4-isopropyl-
CID 23423759
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
(2,6-Dimethylhept-5-en-1-yl)(methyl)amine
CID 146817482

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-methylpentyl)hex-2-en-1-amine?
The IUPAC name of 2-ethyl-N-(3-methylpentyl)hex-2-en-1-amine (CID 123890404) is 2-ethyl-N-(3-methylpentyl)hex-2-en-1-amine.
What is the SMILES notation for 2-ethyl-N-(3-methylpentyl)hex-2-en-1-amine?
The canonical SMILES for 2-ethyl-N-(3-methylpentyl)hex-2-en-1-amine is CCCC=C(CC)CNCCC(C)CC.
What is the InChIKey of 2-ethyl-N-(3-methylpentyl)hex-2-en-1-amine?
The InChIKey is SVYQKCDHRSUXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-5-8-9-14(7-3)12-15-11-10-13(4)6-2/h9,13,15H,5-8,10-12H2,1-4H3.
What are the key properties of 2-ethyl-N-(3-methylpentyl)hex-2-en-1-amine?
2-ethyl-N-(3-methylpentyl)hex-2-en-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-methylpentyl)hex-2-en-1-amine is sourced from PubChem (CID 123890404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).