1-(cyclohexen-1-yl)dodecan-2-amine

C18H35N — CID 116661293

IUPAC1-(cyclohexen-1-yl)dodecan-2-amine
SMILESCCCCCCCCCCC(N)CC1=CCCCC1
InChIInChI=1S/C18H35N/c1-2-3-4-5-6-7-8-12-15-18(19)16-17-13-10-9-11-14-17/h13,18H,2-12,14-16,19H2,1H3
InChIKeyMUVWCENTRWVYRZ-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.74
Rot. Bonds11

About 1-(cyclohexen-1-yl)dodecan-2-amine

1-(cyclohexen-1-yl)dodecan-2-amine (PubChem CID 116661293) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)dodecan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)dodecan-2-amine
PubChem CID116661293
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name1-(cyclohexen-1-yl)dodecan-2-amine
SMILESCCCCCCCCCCC(N)CC1=CCCCC1
InChIInChI=1S/C18H35N/c1-2-3-4-5-6-7-8-12-15-18(19)16-17-13-10-9-11-14-17/h13,18H,2-12,14-16,19H2,1H3
InChIKeyMUVWCENTRWVYRZ-UHFFFAOYSA-N
XLogP5.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.74
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

1-(cyclohexen-1-yl)-5-methoxypentan-2-amine
CID 114857019
1-octylcyclohexene
CID 519088
1-(cyclohepten-1-yl)heptan-1-amine
CID 114752507
1-hexylcycloheptene
CID 15587826
1-nonylcyclooctene
CID 151486862
1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 116661135
1-(5-methyltridecyl)cyclopentene
CID 142058433
1-butylcyclononene
CID 56981158
1-(cyclohexen-1-yl)-4-ethyloctan-2-ol
CID 116660029
1-(cycloocten-1-yl)nonylhydrazine
CID 106649991
1-(cyclohexen-1-yl)-3-methylhexan-2-ol
CID 107893039
1-(4-ethylphenyl)undecan-2-amine
CID 115803351

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)dodecan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)dodecan-2-amine (CID 116661293) is 1-(cyclohexen-1-yl)dodecan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)dodecan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)dodecan-2-amine is CCCCCCCCCCC(N)CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)dodecan-2-amine?
The InChIKey is MUVWCENTRWVYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-2-3-4-5-6-7-8-12-15-18(19)16-17-13-10-9-11-14-17/h13,18H,2-12,14-16,19H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)dodecan-2-amine?
1-(cyclohexen-1-yl)dodecan-2-amine has a molecular weight of 265.48 g/mol, XLogP of 5.74, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)dodecan-2-amine is sourced from PubChem (CID 116661293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).