(2R)-2-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride

C14H29ClN2O — CID 119337815

IUPAC(2R)-2-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCC1CCC(C(C)(C)C)CC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-10(15)13(17)16-9-11-5-7-12(8-6-11)14(2,3)4;/h10-12H,5-9,15H2,1-4H3,(H,16,17);1H/t10-,11?,12?;/m1./s1
InChIKeyNHWGXPJHYFDYJM-CVEKITNISA-N
MW276.85 g/mol
LogP2.72
Rot. Bonds3

About (2R)-2-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride

(2R)-2-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride (PubChem CID 119337815) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is (2R)-2-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride
PubChem CID119337815
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name(2R)-2-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCC1CCC(C(C)(C)C)CC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-10(15)13(17)16-9-11-5-7-12(8-6-11)14(2,3)4;/h10-12H,5-9,15H2,1-4H3,(H,16,17);1H/t10-,11?,12?;/m1./s1
InChIKeyNHWGXPJHYFDYJM-CVEKITNISA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
CID 119299452
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 61149083
N-[(4-tert-butylcyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119808651
(2S)-2-amino-N-[(4-methoxycyclohexyl)methyl]propanamide
CID 119327659
3-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride
CID 119337805
2-amino-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106134063
(2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride
CID 119741871
3-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide
CID 119337806
[4-[(2-aminopropanoylamino)methyl]cyclohexyl] nitrate
CID 67862459
2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 131134455

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride (CID 119337815) is (2R)-2-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride is C[C@@H](N)C(=O)NCC1CCC(C(C)(C)C)CC1.Cl.
What is the InChIKey of (2R)-2-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride?
The InChIKey is NHWGXPJHYFDYJM-CVEKITNISA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-10(15)13(17)16-9-11-5-7-12(8-6-11)14(2,3)4;/h10-12H,5-9,15H2,1-4H3,(H,16,17);1H/t10-,11?,12?;/m1./s1.
What are the key properties of (2R)-2-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride?
(2R)-2-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119337815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).