N-cyclohexyl-N-[2-(1-methylpiperidin-1-ium-2-yl)ethyl]cyclohexanamine

C20H39N2+ — CID 171384206

IUPACN-cyclohexyl-N-[2-(1-methylpiperidin-1-ium-2-yl)ethyl]cyclohexanamine
SMILESC[NH+]1CCCCC1CCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H38N2/c1-21-16-9-8-10-18(21)15-17-22(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h18-20H,2-17H2,1H3/p+1
InChIKeyJHLLJSGDILFEPQ-UHFFFAOYSA-O
MW307.55 g/mol
LogP3.41
Rot. Bonds5

About N-cyclohexyl-N-[2-(1-methylpiperidin-1-ium-2-yl)ethyl]cyclohexanamine

N-cyclohexyl-N-[2-(1-methylpiperidin-1-ium-2-yl)ethyl]cyclohexanamine (PubChem CID 171384206) has the molecular formula C20H39N2+ and a molecular weight of 307.55 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-(1-methylpiperidin-1-ium-2-yl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-(1-methylpiperidin-1-ium-2-yl)ethyl]cyclohexanamine
PubChem CID171384206
Molecular FormulaC20H39N2+
Molecular Weight307.55 g/mol
Exact Mass307.31
IUPAC NameN-cyclohexyl-N-[2-(1-methylpiperidin-1-ium-2-yl)ethyl]cyclohexanamine
SMILESC[NH+]1CCCCC1CCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H38N2/c1-21-16-9-8-10-18(21)15-17-22(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h18-20H,2-17H2,1H3/p+1
InChIKeyJHLLJSGDILFEPQ-UHFFFAOYSA-O
XLogP3.41
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.55
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-(1-methylpiperidin-1-ium-2-yl)ethyl]cyclohexanamine?
The IUPAC name of N-cyclohexyl-N-[2-(1-methylpiperidin-1-ium-2-yl)ethyl]cyclohexanamine (CID 171384206) is N-cyclohexyl-N-[2-(1-methylpiperidin-1-ium-2-yl)ethyl]cyclohexanamine.
What is the SMILES notation for N-cyclohexyl-N-[2-(1-methylpiperidin-1-ium-2-yl)ethyl]cyclohexanamine?
The canonical SMILES for N-cyclohexyl-N-[2-(1-methylpiperidin-1-ium-2-yl)ethyl]cyclohexanamine is C[NH+]1CCCCC1CCN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[2-(1-methylpiperidin-1-ium-2-yl)ethyl]cyclohexanamine?
The InChIKey is JHLLJSGDILFEPQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H38N2/c1-21-16-9-8-10-18(21)15-17-22(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h18-20H,2-17H2,1H3/p+1.
What are the key properties of N-cyclohexyl-N-[2-(1-methylpiperidin-1-ium-2-yl)ethyl]cyclohexanamine?
N-cyclohexyl-N-[2-(1-methylpiperidin-1-ium-2-yl)ethyl]cyclohexanamine has a molecular weight of 307.55 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-(1-methylpiperidin-1-ium-2-yl)ethyl]cyclohexanamine is sourced from PubChem (CID 171384206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).