N-cyclohexyl-N-octadecylcyclohexanamine

C30H59N — CID 154102011

IUPACN-cyclohexyl-N-octadecylcyclohexanamine
SMILESCCCCCCCCCCCCCCCCCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C30H59N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-31(29-24-19-17-20-25-29)30-26-21-18-22-27-30/h29-30H,2-28H2,1H3
InChIKeyLTAFXERVJWXBMX-UHFFFAOYSA-N
MW433.81 g/mol
LogP10.22
Rot. Bonds19

About N-cyclohexyl-N-octadecylcyclohexanamine

N-cyclohexyl-N-octadecylcyclohexanamine (PubChem CID 154102011) has the molecular formula C30H59N and a molecular weight of 433.81 g/mol. Its IUPAC name is N-cyclohexyl-N-octadecylcyclohexanamine.

Molecular Properties

Compound NameN-cyclohexyl-N-octadecylcyclohexanamine
PubChem CID154102011
Molecular FormulaC30H59N
Molecular Weight433.81 g/mol
Exact Mass433.46
IUPAC NameN-cyclohexyl-N-octadecylcyclohexanamine
SMILESCCCCCCCCCCCCCCCCCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C30H59N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-31(29-24-19-17-20-25-29)30-26-21-18-22-27-30/h29-30H,2-28H2,1H3
InChIKeyLTAFXERVJWXBMX-UHFFFAOYSA-N
XLogP10.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.81
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-hexadecylcyclohexanamine
CID 20533826
N-cyclopropyl-N-pentylcyclopropanamine
CID 91246836
1,1-dicyclohexyl-2,2-dihexylhydrazine
CID 57459761
1-(dicyclohexylamino)-5-(dioctadecylamino)pentan-3-one
CID 177429349
N-(6-chlorohexyl)-N-cyclohexylcyclohexanamine
CID 63446738
N,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine
CID 159993444
N'-cyclohexyl-N'-hexylethane-1,2-diamine
CID 63760462
N'-cyclohexyl-N'-heptylpropane-1,3-diamine
CID 43137640
1-N,1-N-dicyclohexyl-3-N-hexylbut-3-ene-1,3-diamine
CID 167073405
cyclohexyl(tetradecyl)carbamodithioic acid
CID 175279642
(8aS)-2-butyl-N-cyclohexyl-N-heptyl-3-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-4-amine
CID 129074760
N-methyl-N-pentylcyclobutanamine
CID 142562644

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-octadecylcyclohexanamine?
The IUPAC name of N-cyclohexyl-N-octadecylcyclohexanamine (CID 154102011) is N-cyclohexyl-N-octadecylcyclohexanamine.
What is the SMILES notation for N-cyclohexyl-N-octadecylcyclohexanamine?
The canonical SMILES for N-cyclohexyl-N-octadecylcyclohexanamine is CCCCCCCCCCCCCCCCCCN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-octadecylcyclohexanamine?
The InChIKey is LTAFXERVJWXBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H59N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-31(29-24-19-17-20-25-29)30-26-21-18-22-27-30/h29-30H,2-28H2,1H3.
What are the key properties of N-cyclohexyl-N-octadecylcyclohexanamine?
N-cyclohexyl-N-octadecylcyclohexanamine has a molecular weight of 433.81 g/mol, XLogP of 10.22, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-octadecylcyclohexanamine is sourced from PubChem (CID 154102011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).