N-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine

C16H32N2 — CID 176641061

IUPACN-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
SMILESCC1CCC(CN(C)CC2CCN(C)CC2)CC1
InChIInChI=1S/C16H32N2/c1-14-4-6-15(7-5-14)12-18(3)13-16-8-10-17(2)11-9-16/h14-16H,4-13H2,1-3H3
InChIKeySFAGYNRBOPQPCL-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.09
Rot. Bonds4

About N-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine

N-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine (PubChem CID 176641061) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
PubChem CID176641061
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
SMILESCC1CCC(CN(C)CC2CCN(C)CC2)CC1
InChIInChI=1S/C16H32N2/c1-14-4-6-15(7-5-14)12-18(3)13-16-8-10-17(2)11-9-16/h14-16H,4-13H2,1-3H3
InChIKeySFAGYNRBOPQPCL-UHFFFAOYSA-N
XLogP3.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine (CID 176641061) is N-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine is CC1CCC(CN(C)CC2CCN(C)CC2)CC1.
What is the InChIKey of N-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine?
The InChIKey is SFAGYNRBOPQPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14-4-6-15(7-5-14)12-18(3)13-16-8-10-17(2)11-9-16/h14-16H,4-13H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine?
N-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine has a molecular weight of 252.45 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine is sourced from PubChem (CID 176641061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).