2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide

C16H31N3O — CID 63613060

IUPAC2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide
SMILESCCN1CCC(CNC(=O)CC2CCC(CN)CC2)C1
InChIInChI=1S/C16H31N3O/c1-2-19-8-7-15(12-19)11-18-16(20)9-13-3-5-14(10-17)6-4-13/h13-15H,2-12,17H2,1H3,(H,18,20)
InChIKeyWHGNJQNEOWPPHD-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.60
Rot. Bonds6

About 2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide

2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide (PubChem CID 63613060) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide
PubChem CID63613060
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide
SMILESCCN1CCC(CNC(=O)CC2CCC(CN)CC2)C1
InChIInChI=1S/C16H31N3O/c1-2-19-8-7-15(12-19)11-18-16(20)9-13-3-5-14(10-17)6-4-13/h13-15H,2-12,17H2,1H3,(H,18,20)
InChIKeyWHGNJQNEOWPPHD-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[(1-ethylpiperidin-3-yl)methyl]acetamide
CID 75418465
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-piperidin-3-ylacetamide
CID 62690196
2-[1-(aminomethyl)cyclobutyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide
CID 81179908
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
2-[4-(aminomethyl)cyclohexyl]-N-(cyclopentylmethyl)acetamide
CID 63613215
3-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpropanamide
CID 62851851
2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63899028
2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide
CID 79809539
5-[(1-ethylpyrrolidin-3-yl)methylamino]-3-methyl-5-oxopentanoic acid
CID 62965394
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941344
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbutanamide
CID 79797123
2-chloro-N-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]acetamide
CID 60856052

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide (CID 63613060) is 2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide is CCN1CCC(CNC(=O)CC2CCC(CN)CC2)C1.
What is the InChIKey of 2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide?
The InChIKey is WHGNJQNEOWPPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-2-19-8-7-15(12-19)11-18-16(20)9-13-3-5-14(10-17)6-4-13/h13-15H,2-12,17H2,1H3,(H,18,20).
What are the key properties of 2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide?
2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 63613060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).