(2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride

C14H29ClN2O — CID 119272259

IUPAC(2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
SMILESCCC(C)(C)C1CCC(NC(=O)[C@H](C)N)CC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-5-14(3,4)11-6-8-12(9-7-11)16-13(17)10(2)15;/h10-12H,5-9,15H2,1-4H3,(H,16,17);1H/t10-,11?,12?;/m0./s1
InChIKeyGGFYXNRWMBXIPQ-YGKYINHESA-N
MW276.85 g/mol
LogP2.87
Rot. Bonds4

About (2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride

(2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride (PubChem CID 119272259) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
PubChem CID119272259
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name(2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
SMILESCCC(C)(C)C1CCC(NC(=O)[C@H](C)N)CC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-5-14(3,4)11-6-8-12(9-7-11)16-13(17)10(2)15;/h10-12H,5-9,15H2,1-4H3,(H,16,17);1H/t10-,11?,12?;/m0./s1
InChIKeyGGFYXNRWMBXIPQ-YGKYINHESA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide
CID 103928588
2-amino-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
CID 120983922
2-methyl-3-(methylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 79195672
3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 62727193
5-amino-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pentanamide
CID 104683788
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide
CID 112686677
3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 43696457
3-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 60867060
7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide
CID 43698547
methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate
CID 43732303
1-(aminomethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclobutane-1-carboxamide
CID 115447469
N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide
CID 75407298

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride (CID 119272259) is (2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride is CCC(C)(C)C1CCC(NC(=O)[C@H](C)N)CC1.Cl.
What is the InChIKey of (2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride?
The InChIKey is GGFYXNRWMBXIPQ-YGKYINHESA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-5-14(3,4)11-6-8-12(9-7-11)16-13(17)10(2)15;/h10-12H,5-9,15H2,1-4H3,(H,16,17);1H/t10-,11?,12?;/m0./s1.
What are the key properties of (2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride?
(2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride is sourced from PubChem (CID 119272259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).