2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride

C11H22ClN3O2 — CID 119610509

IUPAC2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride
SMILESCC(=O)NCC(=O)NC1CCCCC1CN.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-8(15)13-7-11(16)14-10-5-3-2-4-9(10)6-12;/h9-10H,2-7,12H2,1H3,(H,13,15)(H,14,16);1H
InChIKeyDCZHQMXSHILOFG-UHFFFAOYSA-N
MW263.77 g/mol
LogP0.18
Rot. Bonds4

About 2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride

2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride (PubChem CID 119610509) has the molecular formula C11H22ClN3O2 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride
PubChem CID119610509
Molecular FormulaC11H22ClN3O2
Molecular Weight263.77 g/mol
Exact Mass263.14
IUPAC Name2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride
SMILESCC(=O)NCC(=O)NC1CCCCC1CN.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-8(15)13-7-11(16)14-10-5-3-2-4-9(10)6-12;/h9-10H,2-7,12H2,1H3,(H,13,15)(H,14,16);1H
InChIKeyDCZHQMXSHILOFG-UHFFFAOYSA-N
XLogP0.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119609925
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride
CID 119611319
N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride
CID 119611809
2-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid
CID 64814150
2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide
CID 146041857
2-amino-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]acetamide
CID 114178743
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119610794
[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566827
[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566826
N-[2-(aminomethyl)cyclopentyl]-4,4-dimethylpentanamide;hydrochloride
CID 119605302
N'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride
CID 119604127
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride
CID 119612593

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride?
The IUPAC name of 2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride (CID 119610509) is 2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride.
What is the SMILES notation for 2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride?
The canonical SMILES for 2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride is CC(=O)NCC(=O)NC1CCCCC1CN.Cl.
What is the InChIKey of 2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride?
The InChIKey is DCZHQMXSHILOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2.ClH/c1-8(15)13-7-11(16)14-10-5-3-2-4-9(10)6-12;/h9-10H,2-7,12H2,1H3,(H,13,15)(H,14,16);1H.
What are the key properties of 2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride?
2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride is sourced from PubChem (CID 119610509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).