2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide

C15H29N3O — CID 62063944

IUPAC2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CN2CCC(CN)C2)C1C
InChIInChI=1S/C15H29N3O/c1-11-4-3-5-14(12(11)2)17-15(19)10-18-7-6-13(8-16)9-18/h11-14H,3-10,16H2,1-2H3,(H,17,19)
InChIKeyHKZPXMWACIFTGF-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.21
Rot. Bonds4

About 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide (PubChem CID 62063944) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
PubChem CID62063944
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CN2CCC(CN)C2)C1C
InChIInChI=1S/C15H29N3O/c1-11-4-3-5-14(12(11)2)17-15(19)10-18-7-6-13(8-16)9-18/h11-14H,3-10,16H2,1-2H3,(H,17,19)
InChIKeyHKZPXMWACIFTGF-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905606
N-(2,3-dimethylcyclohexyl)-2-[3-(sulfamoylmethyl)piperidin-1-yl]acetamide
CID 56805712
N-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119927916
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride
CID 119926459
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride
CID 119925997
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 120771673
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 81497201
N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide
CID 62062013
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(3S)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 124742724
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 62356455
N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934942
N-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934946

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide (CID 62063944) is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide is CC1CCCC(NC(=O)CN2CCC(CN)C2)C1C.
What is the InChIKey of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide?
The InChIKey is HKZPXMWACIFTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-11-4-3-5-14(12(11)2)17-15(19)10-18-7-6-13(8-16)9-18/h11-14H,3-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide?
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide has a molecular weight of 267.42 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 62063944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).