1-[(2S)-2-amino-2-cyclohexylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C19H36N2O — CID 140775967

IUPAC1-[(2S)-2-amino-2-cyclohexylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C[C@H](N)C2CCCCC2)(C(N)=O)C1
InChIInChI=1S/C19H36N2O/c1-13(2)16-10-9-14(3)11-19(16,18(21)22)12-17(20)15-7-5-4-6-8-15/h13-17H,4-12,20H2,1-3H3,(H2,21,22)/t14?,16?,17-,19?/m0/s1
InChIKeyNQOJENPKIZZDCC-KBILYXEQSA-N
MW308.51 g/mol
LogP3.85
Rot. Bonds5

About 1-[(2S)-2-amino-2-cyclohexylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

1-[(2S)-2-amino-2-cyclohexylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 140775967) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-[(2S)-2-amino-2-cyclohexylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-amino-2-cyclohexylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID140775967
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Name1-[(2S)-2-amino-2-cyclohexylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C[C@H](N)C2CCCCC2)(C(N)=O)C1
InChIInChI=1S/C19H36N2O/c1-13(2)16-10-9-14(3)11-19(16,18(21)22)12-17(20)15-7-5-4-6-8-15/h13-17H,4-12,20H2,1-3H3,(H2,21,22)/t14?,16?,17-,19?/m0/s1
InChIKeyNQOJENPKIZZDCC-KBILYXEQSA-N
XLogP3.85
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2S)-2-amino-2-cyclohexylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide with MolForge

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Related Compounds

ethyl 2-(1-carbamoyl-5-methyl-2-propan-2-ylcyclohexyl)acetate
CID 68627782
1-[(2S)-2-[[(3S)-3-aminobut-1-en-2-yl]amino]-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 140775959
1-(2-amino-2-oxoethyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 66599643
(1R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 175491800
1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 140775956
1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 54908142
1-ethyl-2-propan-2-ylcycloheptane-1-carboxamide
CID 57084439
1-(cyclopentylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 55027769
5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carboxamide
CID 61005628
ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 54918720
ethyl 5-methyl-2-propan-2-yl-1-(propylamino)cyclohexane-1-carboxylate
CID 54918638
1-(1-hydroxyethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 57200441

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-2-cyclohexylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-[(2S)-2-amino-2-cyclohexylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 140775967) is 1-[(2S)-2-amino-2-cyclohexylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(2S)-2-amino-2-cyclohexylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[(2S)-2-amino-2-cyclohexylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CC1CCC(C(C)C)C(C[C@H](N)C2CCCCC2)(C(N)=O)C1.
What is the InChIKey of 1-[(2S)-2-amino-2-cyclohexylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is NQOJENPKIZZDCC-KBILYXEQSA-N. The full InChI is InChI=1S/C19H36N2O/c1-13(2)16-10-9-14(3)11-19(16,18(21)22)12-17(20)15-7-5-4-6-8-15/h13-17H,4-12,20H2,1-3H3,(H2,21,22)/t14?,16?,17-,19?/m0/s1.
What are the key properties of 1-[(2S)-2-amino-2-cyclohexylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
1-[(2S)-2-amino-2-cyclohexylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 308.51 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-2-cyclohexylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 140775967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).