N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine

C20H38N2 — CID 3064282

IUPACN-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine
SMILESC1CCC(CN(CCN2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C20H38N2/c1-4-10-19(11-5-1)18-22(20-12-6-2-7-13-20)17-16-21-14-8-3-9-15-21/h19-20H,1-18H2
InChIKeyOMEHBSQPDZMIDY-UHFFFAOYSA-N
MW306.54 g/mol
LogP4.69
Rot. Bonds6

About N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine

N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine (PubChem CID 3064282) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine
PubChem CID3064282
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC NameN-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine
SMILESC1CCC(CN(CCN2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C20H38N2/c1-4-10-19(11-5-1)18-22(20-12-6-2-7-13-20)17-16-21-14-8-3-9-15-21/h19-20H,1-18H2
InChIKeyOMEHBSQPDZMIDY-UHFFFAOYSA-N
XLogP4.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclohexyl-4-(3-cyclohexylpropyl)piperazine
CID 44598132
1-Ethyl-4-(4-ethylcyclohexyl)piperazine
CID 782189
Piperazine, 1-ethyl-4-(4-methylcyclohexyl)-(9CI)
CID 784289
Piperidinium, 1-(2-(cyclohexyl(cyclohexylmethyl)amino)ethyl)-1-methyl-, bromide
CID 3063254
Piperidinium, 1-(2-(bis(cyclohexylmethyl)amino)ethyl)-1-methyl-, bromide
CID 3063692
Piperidine, 1-(2-(bis(cyclohexylmethyl)amino)ethyl)-, dihydrochloride
CID 3064208
Piperidine, 1-(2-(cyclohexyl(cyclohexylmethyl)amino)ethyl)-, dihydrochloride
CID 3064281
2-(2,2-Dicyclohexylethyl)-1-methylpiperidine
CID 15150412
1-Methyl-4-(4-methylcyclohexyl)piperazine
CID 783882
Piperazine, 1-ethyl-4-(3-methylcyclohexyl)-(9CI)
CID 2846411
1-(2,2-Dicyclohexylethyl)-4-(4-fluorocyclohexyl)piperazine
CID 140640636
N-cyclohexyl-N-(2-piperidin-1-ylethyl)cyclohexanamine
CID 210233

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine?
The IUPAC name of N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine (CID 3064282) is N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine?
The canonical SMILES for N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine is C1CCC(CN(CCN2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine?
The InChIKey is OMEHBSQPDZMIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-4-10-19(11-5-1)18-22(20-12-6-2-7-13-20)17-16-21-14-8-3-9-15-21/h19-20H,1-18H2.
What are the key properties of N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine?
N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine has a molecular weight of 306.54 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine is sourced from PubChem (CID 3064282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).