N-cyclohexyl-N-(piperidin-1-ylmethyl)cyclohexanamine

C18H34N2 — CID 57193338

IUPACN-cyclohexyl-N-(piperidin-1-ylmethyl)cyclohexanamine
SMILESC1CCC(N(CN2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C18H34N2/c1-4-10-17(11-5-1)20(18-12-6-2-7-13-18)16-19-14-8-3-9-15-19/h17-18H,1-16H2
InChIKeyJXNAZBPORFFGGF-UHFFFAOYSA-N
MW278.48 g/mol
LogP4.40
Rot. Bonds4

About N-cyclohexyl-N-(piperidin-1-ylmethyl)cyclohexanamine

N-cyclohexyl-N-(piperidin-1-ylmethyl)cyclohexanamine (PubChem CID 57193338) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is N-cyclohexyl-N-(piperidin-1-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-cyclohexyl-N-(piperidin-1-ylmethyl)cyclohexanamine
PubChem CID57193338
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC NameN-cyclohexyl-N-(piperidin-1-ylmethyl)cyclohexanamine
SMILESC1CCC(N(CN2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C18H34N2/c1-4-10-17(11-5-1)20(18-12-6-2-7-13-18)16-19-14-8-3-9-15-19/h17-18H,1-16H2
InChIKeyJXNAZBPORFFGGF-UHFFFAOYSA-N
XLogP4.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(piperidin-1-ylmethyl)cyclohexanamine?
The IUPAC name of N-cyclohexyl-N-(piperidin-1-ylmethyl)cyclohexanamine (CID 57193338) is N-cyclohexyl-N-(piperidin-1-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-cyclohexyl-N-(piperidin-1-ylmethyl)cyclohexanamine?
The canonical SMILES for N-cyclohexyl-N-(piperidin-1-ylmethyl)cyclohexanamine is C1CCC(N(CN2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-N-(piperidin-1-ylmethyl)cyclohexanamine?
The InChIKey is JXNAZBPORFFGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-4-10-17(11-5-1)20(18-12-6-2-7-13-18)16-19-14-8-3-9-15-19/h17-18H,1-16H2.
What are the key properties of N-cyclohexyl-N-(piperidin-1-ylmethyl)cyclohexanamine?
N-cyclohexyl-N-(piperidin-1-ylmethyl)cyclohexanamine has a molecular weight of 278.48 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(piperidin-1-ylmethyl)cyclohexanamine is sourced from PubChem (CID 57193338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).