N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]-2-cyclohexylacetamide

C20H35N3O2 — CID 119632663

IUPACN-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]-2-cyclohexylacetamide
SMILESNCC1CCCN1C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C20H35N3O2/c21-14-18-7-4-12-23(18)20(25)16-8-10-17(11-9-16)22-19(24)13-15-5-2-1-3-6-15/h15-18H,1-14,21H2,(H,22,24)
InChIKeyUDRYFSHZFASGIZ-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.58
Rot. Bonds5

About N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]-2-cyclohexylacetamide

N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]-2-cyclohexylacetamide (PubChem CID 119632663) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]-2-cyclohexylacetamide
PubChem CID119632663
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC NameN-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]-2-cyclohexylacetamide
SMILESNCC1CCCN1C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C20H35N3O2/c21-14-18-7-4-12-23(18)20(25)16-8-10-17(11-9-16)22-19(24)13-15-5-2-1-3-6-15/h15-18H,1-14,21H2,(H,22,24)
InChIKeyUDRYFSHZFASGIZ-UHFFFAOYSA-N
XLogP2.58
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119365518
N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-2-cyclopentylacetamide;hydrochloride
CID 119436827
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone
CID 113265851
2-(aminomethyl)-N-cyclopropylpiperidine-1-carboxamide
CID 62699493
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride
CID 119634129
3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66031106
N-[2-(aminomethyl)cyclohexyl]-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119610772
2-cyclohexyl-N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexyl]acetamide
CID 119637051
[4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 104963820
N-(3-aminocyclopentyl)-2-cyclopentylacetamide
CID 115272899
N-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]cyclopentanecarboxamide
CID 119651183

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]-2-cyclohexylacetamide?
The IUPAC name of N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]-2-cyclohexylacetamide (CID 119632663) is N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]-2-cyclohexylacetamide is NCC1CCCN1C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1.
What is the InChIKey of N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]-2-cyclohexylacetamide?
The InChIKey is UDRYFSHZFASGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c21-14-18-7-4-12-23(18)20(25)16-8-10-17(11-9-16)22-19(24)13-15-5-2-1-3-6-15/h15-18H,1-14,21H2,(H,22,24).
What are the key properties of N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]-2-cyclohexylacetamide?
N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]-2-cyclohexylacetamide has a molecular weight of 349.52 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]-2-cyclohexylacetamide is sourced from PubChem (CID 119632663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).