3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride

C14H29ClN2O — CID 119750378

IUPAC3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride
SMILESCCCC1CCC(NC(=O)C(C)(C)CN)CC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-4-5-11-6-8-12(9-7-11)16-13(17)14(2,3)10-15;/h11-12H,4-10,15H2,1-3H3,(H,16,17);1H
InChIKeyZSRHAFVDKMTINP-UHFFFAOYSA-N
MW276.85 g/mol
LogP2.87
Rot. Bonds5

About 3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride

3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride (PubChem CID 119750378) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride
PubChem CID119750378
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride
SMILESCCCC1CCC(NC(=O)C(C)(C)CN)CC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-4-5-11-6-8-12(9-7-11)16-13(17)14(2,3)10-15;/h11-12H,4-10,15H2,1-3H3,(H,16,17);1H
InChIKeyZSRHAFVDKMTINP-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-methyl-N-(4-propylcyclohexyl)propanamide
CID 103429701
3-amino-2,2-dimethyl-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834906
2-carbamothioyl-2-methyl-N-(4-propylcyclohexyl)butanamide
CID 114292084
N-(4-aminocyclohexyl)-2,2-dimethylbutanamide
CID 62678396
ethyl N-(4-propylcyclohexyl)carbamate
CID 61381222
2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid
CID 65300395
2-(tert-butylamino)-N-(4-propylcyclohexyl)acetamide
CID 78986680
ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate
CID 54963755
3-amino-2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 80717739
2-methyl-2-piperidin-3-yl-N-(4-propylcyclohexyl)propanamide
CID 83034570
2-hydroxyethyl N-(4-propylcyclohexyl)carbamate
CID 79349163
3-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2,2-dimethylpropanamide;dihydrochloride
CID 119864814

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride (CID 119750378) is 3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride is CCCC1CCC(NC(=O)C(C)(C)CN)CC1.Cl.
What is the InChIKey of 3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride?
The InChIKey is ZSRHAFVDKMTINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-4-5-11-6-8-12(9-7-11)16-13(17)14(2,3)10-15;/h11-12H,4-10,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride?
3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride is sourced from PubChem (CID 119750378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).