(2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride

C15H31ClN2O — CID 119741871

IUPAC(2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NCC1CCCCCCC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-15(2,3)13(16)14(18)17-11-12-9-7-5-4-6-8-10-12;/h12-13H,4-11,16H2,1-3H3,(H,17,18);1H/t13-;/m1./s1
InChIKeyXXULYPVGQZMBKE-BTQNPOSSSA-N
MW290.88 g/mol
LogP3.26
Rot. Bonds3

About (2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride

(2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119741871) has the molecular formula C15H31ClN2O and a molecular weight of 290.88 g/mol. Its IUPAC name is (2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride
PubChem CID119741871
Molecular FormulaC15H31ClN2O
Molecular Weight290.88 g/mol
Exact Mass290.21
IUPAC Name(2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NCC1CCCCCCC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-15(2,3)13(16)14(18)17-11-12-9-7-5-4-6-8-10-12;/h12-13H,4-11,16H2,1-3H3,(H,17,18);1H/t13-;/m1./s1
InChIKeyXXULYPVGQZMBKE-BTQNPOSSSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.88
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-(thian-4-ylmethyl)butanamide;hydrochloride
CID 119756562
2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
CID 119299452
(2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide
CID 114137096
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
2-tert-butyl-N-(cyclobutylmethyl)-3,3-dimethylbutanamide
CID 146286386
(2S)-2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 61158739
2-amino-N-(2-cyclopentyloxyethyl)-3,3-dimethylbutanamide
CID 77009240
(2R)-2-amino-N-(cyclobutylmethyl)-3-methylbutanamide
CID 79011849
3-amino-N-(cyclohexylmethyl)-2-methoxypropanamide
CID 106111277
(2S)-2-amino-3,3-dimethyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide;hydrochloride
CID 119819182
(2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide
CID 104876667
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride (CID 119741871) is (2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride is CC(C)(C)[C@H](N)C(=O)NCC1CCCCCCC1.Cl.
What is the InChIKey of (2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is XXULYPVGQZMBKE-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H30N2O.ClH/c1-15(2,3)13(16)14(18)17-11-12-9-7-5-4-6-8-10-12;/h12-13H,4-11,16H2,1-3H3,(H,17,18);1H/t13-;/m1./s1.
What are the key properties of (2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 290.88 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119741871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).