1-cyclohexyl-N-ethyldodecan-1-amine

C20H41N — CID 114981553

IUPAC1-cyclohexyl-N-ethyldodecan-1-amine
SMILESCCCCCCCCCCCC(NCC)C1CCCCC1
InChIInChI=1S/C20H41N/c1-3-5-6-7-8-9-10-11-15-18-20(21-4-2)19-16-13-12-14-17-19/h19-21H,3-18H2,1-2H3
InChIKeyIDFFBHBAYFUSST-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.47
Rot. Bonds13

About 1-cyclohexyl-N-ethyldodecan-1-amine

1-cyclohexyl-N-ethyldodecan-1-amine (PubChem CID 114981553) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyldodecan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyldodecan-1-amine
PubChem CID114981553
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC Name1-cyclohexyl-N-ethyldodecan-1-amine
SMILESCCCCCCCCCCCC(NCC)C1CCCCC1
InChIInChI=1S/C20H41N/c1-3-5-6-7-8-9-10-11-15-18-20(21-4-2)19-16-13-12-14-17-19/h19-21H,3-18H2,1-2H3
InChIKeyIDFFBHBAYFUSST-UHFFFAOYSA-N
XLogP6.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclooctyl-N-ethylheptan-1-amine
CID 80603132
1-cyclohexyl-N-ethyloctan-1-amine
CID 63413572
1-cyclobutyl-N-ethylundecan-1-amine
CID 64986983
N-ethyl-1-(oxan-4-yl)dodecan-1-amine
CID 115855998
1-cyclobutyl-N-propyldodecan-1-amine
CID 105049365
1-cycloheptyldodecylhydrazine
CID 105330602
3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine
CID 55095359
1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine
CID 104648397
N-ethyl-1-(4-propylcyclohexyl)octan-1-amine
CID 65423776
N-ethyl-1-(3-ethylcyclohexyl)decan-1-amine
CID 65415153
1-(4-tert-butylcyclohexyl)-N-ethylheptan-1-amine
CID 65414527
1-cyclohexylhexylhydrazine
CID 105201926

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyldodecan-1-amine?
The IUPAC name of 1-cyclohexyl-N-ethyldodecan-1-amine (CID 114981553) is 1-cyclohexyl-N-ethyldodecan-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-ethyldodecan-1-amine?
The canonical SMILES for 1-cyclohexyl-N-ethyldodecan-1-amine is CCCCCCCCCCCC(NCC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyldodecan-1-amine?
The InChIKey is IDFFBHBAYFUSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-3-5-6-7-8-9-10-11-15-18-20(21-4-2)19-16-13-12-14-17-19/h19-21H,3-18H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-ethyldodecan-1-amine?
1-cyclohexyl-N-ethyldodecan-1-amine has a molecular weight of 295.56 g/mol, XLogP of 6.47, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyldodecan-1-amine is sourced from PubChem (CID 114981553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).