5-amino-N-(4-methoxybutan-2-yl)-2-methylcyclohexane-1-carboxamide

C13H26N2O2 — CID 64603308

IUPAC5-amino-N-(4-methoxybutan-2-yl)-2-methylcyclohexane-1-carboxamide
SMILESCOCCC(C)NC(=O)C1CC(N)CCC1C
InChIInChI=1S/C13H26N2O2/c1-9-4-5-11(14)8-12(9)13(16)15-10(2)6-7-17-3/h9-12H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyGLVBXVKLMPNIIZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.29
Rot. Bonds5

About 5-amino-N-(4-methoxybutan-2-yl)-2-methylcyclohexane-1-carboxamide

5-amino-N-(4-methoxybutan-2-yl)-2-methylcyclohexane-1-carboxamide (PubChem CID 64603308) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 5-amino-N-(4-methoxybutan-2-yl)-2-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-methoxybutan-2-yl)-2-methylcyclohexane-1-carboxamide
PubChem CID64603308
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name5-amino-N-(4-methoxybutan-2-yl)-2-methylcyclohexane-1-carboxamide
SMILESCOCCC(C)NC(=O)C1CC(N)CCC1C
InChIInChI=1S/C13H26N2O2/c1-9-4-5-11(14)8-12(9)13(16)15-10(2)6-7-17-3/h9-12H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyGLVBXVKLMPNIIZ-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[4-(dimethylamino)butan-2-yl]-2-methylcyclohexane-1-carboxamide
CID 62782765
5-amino-N-(1-ethoxypropan-2-yl)-2-methylcyclohexane-1-carboxamide
CID 62782760
2-amino-N-(4-methoxybutan-2-yl)-3-methylcyclohexane-1-carboxamide
CID 64603719
5-amino-2-methyl-N-(3-methylpentan-2-yl)cyclohexane-1-carboxamide
CID 62782261
3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119765560
2-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide
CID 64603110
4-amino-N-(4-methoxybutan-2-yl)oxolane-3-carboxamide
CID 66237512
2-(4-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide
CID 64603111
methyl (1S,2R,5S)-5-amino-2-methylcyclohexane-1-carboxylate
CID 155905120
2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide
CID 64603511
5-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 55117060
2-(cyclopropylmethylamino)-N-(4-methoxybutan-2-yl)acetamide
CID 64606071

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-methoxybutan-2-yl)-2-methylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N-(4-methoxybutan-2-yl)-2-methylcyclohexane-1-carboxamide (CID 64603308) is 5-amino-N-(4-methoxybutan-2-yl)-2-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N-(4-methoxybutan-2-yl)-2-methylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N-(4-methoxybutan-2-yl)-2-methylcyclohexane-1-carboxamide is COCCC(C)NC(=O)C1CC(N)CCC1C.
What is the InChIKey of 5-amino-N-(4-methoxybutan-2-yl)-2-methylcyclohexane-1-carboxamide?
The InChIKey is GLVBXVKLMPNIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9-4-5-11(14)8-12(9)13(16)15-10(2)6-7-17-3/h9-12H,4-8,14H2,1-3H3,(H,15,16).
What are the key properties of 5-amino-N-(4-methoxybutan-2-yl)-2-methylcyclohexane-1-carboxamide?
5-amino-N-(4-methoxybutan-2-yl)-2-methylcyclohexane-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-methoxybutan-2-yl)-2-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 64603308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).