N-methyl-4-[(1-methylpiperidin-3-yl)methyl]cyclohexan-1-amine

C14H28N2 — CID 116926394

IUPACN-methyl-4-[(1-methylpiperidin-3-yl)methyl]cyclohexan-1-amine
SMILESCNC1CCC(CC2CCCN(C)C2)CC1
InChIInChI=1S/C14H28N2/c1-15-14-7-5-12(6-8-14)10-13-4-3-9-16(2)11-13/h12-15H,3-11H2,1-2H3
InChIKeyAOBFNVNBDKWIFN-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.50
Rot. Bonds3

About N-methyl-4-[(1-methylpiperidin-3-yl)methyl]cyclohexan-1-amine

N-methyl-4-[(1-methylpiperidin-3-yl)methyl]cyclohexan-1-amine (PubChem CID 116926394) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-methyl-4-[(1-methylpiperidin-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[(1-methylpiperidin-3-yl)methyl]cyclohexan-1-amine
PubChem CID116926394
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-methyl-4-[(1-methylpiperidin-3-yl)methyl]cyclohexan-1-amine
SMILESCNC1CCC(CC2CCCN(C)C2)CC1
InChIInChI=1S/C14H28N2/c1-15-14-7-5-12(6-8-14)10-13-4-3-9-16(2)11-13/h12-15H,3-11H2,1-2H3
InChIKeyAOBFNVNBDKWIFN-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropylmethyl)-1-methylpyrrolidine
CID 127006990
5-(cyclopropylmethyl)-N,1-dimethylpiperidin-3-amine
CID 83989521
N,1-dimethyl-N-[[4-(methylamino)cyclohexyl]methyl]piperidin-3-amine
CID 115213642
butane;N,1-dimethylpiperidin-3-amine
CID 91437867
N,1-dimethylpiperidin-3-amine;ethanol
CID 91223318
(3S)-3-(chloromethyl)-1-methylpiperidine
CID 1268113
ethane;3-ethyl-1-methylpiperidine
CID 142833851
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
N-cyclopropyl-2-(1-methylpiperidin-3-yl)acetamide
CID 110848024
3-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclopentan-1-amine
CID 64502172
(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332
N,1-dimethylazepan-4-amine;molecular hydrogen
CID 156821685

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(1-methylpiperidin-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[(1-methylpiperidin-3-yl)methyl]cyclohexan-1-amine (CID 116926394) is N-methyl-4-[(1-methylpiperidin-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[(1-methylpiperidin-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[(1-methylpiperidin-3-yl)methyl]cyclohexan-1-amine is CNC1CCC(CC2CCCN(C)C2)CC1.
What is the InChIKey of N-methyl-4-[(1-methylpiperidin-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is AOBFNVNBDKWIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-15-14-7-5-12(6-8-14)10-13-4-3-9-16(2)11-13/h12-15H,3-11H2,1-2H3.
What are the key properties of N-methyl-4-[(1-methylpiperidin-3-yl)methyl]cyclohexan-1-amine?
N-methyl-4-[(1-methylpiperidin-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(1-methylpiperidin-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 116926394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).