3-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride

C14H29ClN2O — CID 119750943

IUPAC3-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride
SMILESCC(N)CC(=O)NC1CC(C)CCC1C(C)C.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-9(2)12-6-5-10(3)7-13(12)16-14(17)8-11(4)15;/h9-13H,5-8,15H2,1-4H3,(H,16,17);1H
InChIKeyPKPGJFMQQSFXDD-UHFFFAOYSA-N
MW276.85 g/mol
LogP2.72
Rot. Bonds4

About 3-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride

3-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride (PubChem CID 119750943) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is 3-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride
PubChem CID119750943
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name3-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride
SMILESCC(N)CC(=O)NC1CC(C)CCC1C(C)C.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-9(2)12-6-5-10(3)7-13(12)16-14(17)8-11(4)15;/h9-13H,5-8,15H2,1-4H3,(H,16,17);1H
InChIKeyPKPGJFMQQSFXDD-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

(2S)-2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119304536
3-amino-N-(3-methylcyclopentyl)butanamide
CID 114546157
2-amino-4-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pentanamide
CID 43707055
3,3-dimethyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-5-oxopentanoic acid
CID 62934575
3-amino-N-(4-methylcyclohexyl)butanamide
CID 60835833
methyl 2-[bis[2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]amino]-2-oxoethyl]amino]acetate
CID 132579395
3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide
CID 113250248
3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide
CID 55110853
N-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 100851674
2-methoxy-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide
CID 113225650
3-(carbamoylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-thiophen-2-ylpropanamide
CID 55931831
ethyl 3-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]carbamoylamino]butanoate
CID 58004825

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride (CID 119750943) is 3-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride is CC(N)CC(=O)NC1CC(C)CCC1C(C)C.Cl.
What is the InChIKey of 3-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride?
The InChIKey is PKPGJFMQQSFXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-9(2)12-6-5-10(3)7-13(12)16-14(17)8-11(4)15;/h9-13H,5-8,15H2,1-4H3,(H,16,17);1H.
What are the key properties of 3-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride?
3-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride is sourced from PubChem (CID 119750943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).