2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride

C13H26ClN3O — CID 119926969

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride
SMILESCl.NCC1CCCN1CC(=O)NC1CCCCC1
InChIInChI=1S/C13H25N3O.ClH/c14-9-12-7-4-8-16(12)10-13(17)15-11-5-2-1-3-6-11;/h11-12H,1-10,14H2,(H,15,17);1H
InChIKeyHEIOKVCHIHLNKN-UHFFFAOYSA-N
MW275.82 g/mol
LogP1.28
Rot. Bonds4

About 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride (PubChem CID 119926969) has the molecular formula C13H26ClN3O and a molecular weight of 275.82 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride
PubChem CID119926969
Molecular FormulaC13H26ClN3O
Molecular Weight275.82 g/mol
Exact Mass275.18
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride
SMILESCl.NCC1CCCN1CC(=O)NC1CCCCC1
InChIInChI=1S/C13H25N3O.ClH/c14-9-12-7-4-8-16(12)10-13(17)15-11-5-2-1-3-6-11;/h11-12H,1-10,14H2,(H,15,17);1H
InChIKeyHEIOKVCHIHLNKN-UHFFFAOYSA-N
XLogP1.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119916027
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopentylacetamide
CID 63760691
N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942542
N-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942509
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclohexylacetamide
CID 63763550
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide
CID 81492966
N-cycloheptyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690342
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide
CID 115963763
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 63759548
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-cycloheptylacetamide
CID 82731953
2-[2-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119911198
N-cyclohexyl-2-[2-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847125

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride (CID 119926969) is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride is Cl.NCC1CCCN1CC(=O)NC1CCCCC1.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride?
The InChIKey is HEIOKVCHIHLNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.ClH/c14-9-12-7-4-8-16(12)10-13(17)15-11-5-2-1-3-6-11;/h11-12H,1-10,14H2,(H,15,17);1H.
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride?
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride is sourced from PubChem (CID 119926969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).