4-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide

C14H28N2O — CID 62783259

IUPAC4-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide
SMILESCCC(NC(=O)C1CCC(N)C(C)C1)C(C)C
InChIInChI=1S/C14H28N2O/c1-5-13(9(2)3)16-14(17)11-6-7-12(15)10(4)8-11/h9-13H,5-8,15H2,1-4H3,(H,16,17)
InChIKeyUJVCCSYRAUHFJI-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.30
Rot. Bonds4

About 4-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide

4-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide (PubChem CID 62783259) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide
PubChem CID62783259
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide
SMILESCCC(NC(=O)C1CCC(N)C(C)C1)C(C)C
InChIInChI=1S/C14H28N2O/c1-5-13(9(2)3)16-14(17)11-6-7-12(15)10(4)8-11/h9-13H,5-8,15H2,1-4H3,(H,16,17)
InChIKeyUJVCCSYRAUHFJI-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide
CID 63840862
4-amino-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 62777735
4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 55115402
4-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 103113502
4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide
CID 62782736
4-amino-N-(1-cyclohexylethyl)-3-methylcyclohexane-1-carboxamide
CID 55116861
4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 62782597
2-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide
CID 62783421
4-amino-N-butyl-3-methylcyclohexane-1-carboxamide
CID 62782491
4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104766026
3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550835
N-(2-methylpentan-3-yl)-1-sulfamoylpiperidine-4-carboxamide
CID 47418589

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide (CID 62783259) is 4-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide is CCC(NC(=O)C1CCC(N)C(C)C1)C(C)C.
What is the InChIKey of 4-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide?
The InChIKey is UJVCCSYRAUHFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-13(9(2)3)16-14(17)11-6-7-12(15)10(4)8-11/h9-13H,5-8,15H2,1-4H3,(H,16,17).
What are the key properties of 4-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide?
4-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62783259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).