1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide

C16H31N3O — CID 63236819

IUPAC1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide
SMILESCN1CCC(CN(C)C(=O)C2(CN)CCCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-18-10-6-14(7-11-18)12-19(2)15(20)16(13-17)8-4-3-5-9-16/h14H,3-13,17H2,1-2H3
InChIKeyBMLASYHCCUCVHI-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.70
Rot. Bonds4

About 1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide

1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 63236819) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide
PubChem CID63236819
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide
SMILESCN1CCC(CN(C)C(=O)C2(CN)CCCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-18-10-6-14(7-11-18)12-19(2)15(20)16(13-17)8-4-3-5-9-16/h14H,3-13,17H2,1-2H3
InChIKeyBMLASYHCCUCVHI-UHFFFAOYSA-N
XLogP1.70
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(cyclopentylmethyl)-N-methylcyclopropane-1-carboxamide
CID 80598771
1-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80598397
1-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 63273710
1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
CID 63713295
1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 56828911
1-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 80598806
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 104678196
1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-1-carboxamide
CID 63956979
1-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 115182657
3-amino-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 115192849
1-amino-N-(cyclopropylmethyl)-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119297257
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 63275214

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide (CID 63236819) is 1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide is CN1CCC(CN(C)C(=O)C2(CN)CCCCC2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is BMLASYHCCUCVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-18-10-6-14(7-11-18)12-19(2)15(20)16(13-17)8-4-3-5-9-16/h14H,3-13,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide?
1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 63236819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).