1-(cyclohexen-1-yl)-N-ethylundecan-2-amine

C19H37N — CID 116661766

IUPAC1-(cyclohexen-1-yl)-N-ethylundecan-2-amine
SMILESCCCCCCCCCC(CC1=CCCCC1)NCC
InChIInChI=1S/C19H37N/c1-3-5-6-7-8-9-13-16-19(20-4-2)17-18-14-11-10-12-15-18/h14,19-20H,3-13,15-17H2,1-2H3
InChIKeySERPIUJHSMENFU-UHFFFAOYSA-N
MW279.51 g/mol
LogP6.00
Rot. Bonds12

About 1-(cyclohexen-1-yl)-N-ethylundecan-2-amine

1-(cyclohexen-1-yl)-N-ethylundecan-2-amine (PubChem CID 116661766) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethylundecan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethylundecan-2-amine
PubChem CID116661766
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name1-(cyclohexen-1-yl)-N-ethylundecan-2-amine
SMILESCCCCCCCCCC(CC1=CCCCC1)NCC
InChIInChI=1S/C19H37N/c1-3-5-6-7-8-9-13-16-19(20-4-2)17-18-14-11-10-12-15-18/h14,19-20H,3-13,15-17H2,1-2H3
InChIKeySERPIUJHSMENFU-UHFFFAOYSA-N
XLogP6.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 56.00
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

1-(cyclohexen-1-yl)dodecan-2-amine
CID 116661293
1-(cyclohexen-1-yl)-N-propylnon-8-en-2-amine
CID 107009676
1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine
CID 116661870
1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 116661714
1-(cyclohexen-1-yl)-N-propylhept-6-en-2-amine
CID 116662062
1-(cyclohexen-1-yl)-N-ethyloctan-1-amine
CID 63506129
1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine
CID 116662072
1-(cyclohexen-1-yl)pentan-2-ylhydrazine
CID 105269890
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 116661927
1-octylcyclohexene
CID 519088
N-ethyl-1-(4-ethylphenyl)decan-2-amine
CID 115803801
1-(cycloocten-1-yl)-N-ethylhexan-1-amine
CID 106656805

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-ethylundecan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethylundecan-2-amine (CID 116661766) is 1-(cyclohexen-1-yl)-N-ethylundecan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethylundecan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethylundecan-2-amine is CCCCCCCCCC(CC1=CCCCC1)NCC.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethylundecan-2-amine?
The InChIKey is SERPIUJHSMENFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-3-5-6-7-8-9-13-16-19(20-4-2)17-18-14-11-10-12-15-18/h14,19-20H,3-13,15-17H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethylundecan-2-amine?
1-(cyclohexen-1-yl)-N-ethylundecan-2-amine has a molecular weight of 279.51 g/mol, XLogP of 6.00, 12 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-ethylundecan-2-amine is sourced from PubChem (CID 116661766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).