1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine

C15H29N — CID 116661870

IUPAC1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine
SMILESCCNC(CC1=CCCCC1)CC(C)CC
InChIInChI=1S/C15H29N/c1-4-13(3)11-15(16-5-2)12-14-9-7-6-8-10-14/h9,13,15-16H,4-8,10-12H2,1-3H3
InChIKeyFROKGZIKGDMGGV-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.29
Rot. Bonds7

About 1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine

1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine (PubChem CID 116661870) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine
PubChem CID116661870
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine
SMILESCCNC(CC1=CCCCC1)CC(C)CC
InChIInChI=1S/C15H29N/c1-4-13(3)11-15(16-5-2)12-14-9-7-6-8-10-14/h9,13,15-16H,4-8,10-12H2,1-3H3
InChIKeyFROKGZIKGDMGGV-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexen-1-yl)-N-ethylundecan-2-amine
CID 116661766
1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 116661714
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 116661927
1-(cyclohexen-1-yl)-3-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 116661708
1-(cyclohexen-1-yl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylpropan-2-amine
CID 116661749
1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 116661880
1-(cyclohexen-1-yl)-N-ethyl-3-methylbut-3-en-2-amine
CID 116661717
N-(cyclohepten-1-ylmethyl)propan-2-amine
CID 106653004
ethane;1-(2-methylpentyl)cyclohexene
CID 144539810
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 116661892
1-(cyclohexen-1-yl)pentan-2-ylhydrazine
CID 105269890
1-(3-bromo-4-methoxyphenyl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine
CID 116661813

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine (CID 116661870) is 1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine is CCNC(CC1=CCCCC1)CC(C)CC.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine?
The InChIKey is FROKGZIKGDMGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-4-13(3)11-15(16-5-2)12-14-9-7-6-8-10-14/h9,13,15-16H,4-8,10-12H2,1-3H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine?
1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine has a molecular weight of 223.40 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine is sourced from PubChem (CID 116661870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).