2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride

C12H25ClN2O — CID 119299452

IUPAC2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
SMILESCC(N)C(=O)NCC1CCCCCCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10(13)12(15)14-9-11-7-5-3-2-4-6-8-11;/h10-11H,2-9,13H2,1H3,(H,14,15);1H
InChIKeyCQUCAZDDONJNPK-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.23
Rot. Bonds3

About 2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride

2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride (PubChem CID 119299452) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
PubChem CID119299452
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
SMILESCC(N)C(=O)NCC1CCCCCCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10(13)12(15)14-9-11-7-5-3-2-4-6-8-11;/h10-11H,2-9,13H2,1H3,(H,14,15);1H
InChIKeyCQUCAZDDONJNPK-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 61149083
(2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride
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2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 131134455
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669
(2S)-2-amino-N-[(4-methoxycyclohexyl)methyl]propanamide
CID 119327659
(2R)-2-amino-N-(cyclobutylmethyl)-3-methylbutanamide
CID 79011849
3-amino-N-(cyclohexylmethyl)-2-methoxypropanamide
CID 106111277
(2R)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313821

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride?
The IUPAC name of 2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride (CID 119299452) is 2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride is CC(N)C(=O)NCC1CCCCCCC1.Cl.
What is the InChIKey of 2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride?
The InChIKey is CQUCAZDDONJNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-10(13)12(15)14-9-11-7-5-3-2-4-6-8-11;/h10-11H,2-9,13H2,1H3,(H,14,15);1H.
What are the key properties of 2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride?
2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119299452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).