4-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide

C14H27N3O — CID 115151057

IUPAC4-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide
SMILESCN1CCC(N(C)C(=O)C2CCC(CN)CC2)C1
InChIInChI=1S/C14H27N3O/c1-16-8-7-13(10-16)17(2)14(18)12-5-3-11(9-15)4-6-12/h11-13H,3-10,15H2,1-2H3
InChIKeyCZEWTQANJQRFDH-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.91
Rot. Bonds3

About 4-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide (PubChem CID 115151057) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide
PubChem CID115151057
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide
SMILESCN1CCC(N(C)C(=O)C2CCC(CN)CC2)C1
InChIInChI=1S/C14H27N3O/c1-16-8-7-13(10-16)17(2)14(18)12-5-3-11(9-15)4-6-12/h11-13H,3-10,15H2,1-2H3
InChIKeyCZEWTQANJQRFDH-UHFFFAOYSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide
CID 62808188
2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide
CID 66565800
2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide
CID 63613912
3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide
CID 115161473
1-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 115182657
2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62806413
3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 115154624
(3S)-N-cyclohexyl-N,1-dimethylpyrrolidine-3-carboxamide
CID 134459471
(3R)-N-cyclohexyl-N,1-dimethylpyrrolidine-3-carboxamide
CID 134459454
N-methyl-N-(1-methylpyrrolidin-3-yl)-3-oxopentanamide
CID 59675990
4-amino-N,3,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 115157304

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide (CID 115151057) is 4-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide is CN1CCC(N(C)C(=O)C2CCC(CN)CC2)C1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide?
The InChIKey is CZEWTQANJQRFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16-8-7-13(10-16)17(2)14(18)12-5-3-11(9-15)4-6-12/h11-13H,3-10,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115151057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).