N-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine

C16H33N3 — CID 63234425

IUPACN-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine
SMILESCNC1CCCCC1CN(C)CC1CCN(C)CC1
InChIInChI=1S/C16H33N3/c1-17-16-7-5-4-6-15(16)13-19(3)12-14-8-10-18(2)11-9-14/h14-17H,4-13H2,1-3H3
InChIKeyXBRGPOCNDHNBSS-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.04
Rot. Bonds5

About N-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine

N-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine (PubChem CID 63234425) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine
PubChem CID63234425
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine
SMILESCNC1CCCCC1CN(C)CC1CCN(C)CC1
InChIInChI=1S/C16H33N3/c1-17-16-7-5-4-6-15(16)13-19(3)12-14-8-10-18(2)11-9-14/h14-17H,4-13H2,1-3H3
InChIKeyXBRGPOCNDHNBSS-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 55170284
N-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cycloheptan-1-amine
CID 63274438
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methylcycloheptan-1-amine
CID 79313203
N-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 176641061
2-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethylcyclopentan-1-amine
CID 63631296
[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methanethiol
CID 115228180
1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine
CID 63275645
1-cyclopentyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 104746229
N-methyl-N-[[2-(methylamino)cyclohexyl]methyl]cycloheptanamine
CID 62614949
N-methyl-N-[(3-methylcyclobutyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 176641060
2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 114087578

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine (CID 63234425) is N-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine is CNC1CCCCC1CN(C)CC1CCN(C)CC1.
What is the InChIKey of N-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine?
The InChIKey is XBRGPOCNDHNBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-17-16-7-5-4-6-15(16)13-19(3)12-14-8-10-18(2)11-9-14/h14-17H,4-13H2,1-3H3.
What are the key properties of N-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine?
N-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 63234425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).