4-amino-N,2-dimethyl-N-pentan-3-ylcyclohexane-1-carboxamide

C14H28N2O — CID 62783517

IUPAC4-amino-N,2-dimethyl-N-pentan-3-ylcyclohexane-1-carboxamide
SMILESCCC(CC)N(C)C(=O)C1CCC(N)CC1C
InChIInChI=1S/C14H28N2O/c1-5-12(6-2)16(4)14(17)13-8-7-11(15)9-10(13)3/h10-13H,5-9,15H2,1-4H3
InChIKeyPJKSEXQUBXVLAT-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.40
Rot. Bonds4

About 4-amino-N,2-dimethyl-N-pentan-3-ylcyclohexane-1-carboxamide

4-amino-N,2-dimethyl-N-pentan-3-ylcyclohexane-1-carboxamide (PubChem CID 62783517) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-amino-N,2-dimethyl-N-pentan-3-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N,2-dimethyl-N-pentan-3-ylcyclohexane-1-carboxamide
PubChem CID62783517
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-amino-N,2-dimethyl-N-pentan-3-ylcyclohexane-1-carboxamide
SMILESCCC(CC)N(C)C(=O)C1CCC(N)CC1C
InChIInChI=1S/C14H28N2O/c1-5-12(6-2)16(4)14(17)13-8-7-11(15)9-10(13)3/h10-13H,5-9,15H2,1-4H3
InChIKeyPJKSEXQUBXVLAT-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide
CID 62781325
4-amino-N-[2-(dimethylamino)ethyl]-N,2-dimethylcyclohexane-1-carboxamide
CID 63727080
4-amino-2-methyl-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 62782228
(1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid
CID 162343513
3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549901
4-amino-N,2-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62781743
4-amino-N,2-dimethyl-N-(3-methylcyclohexyl)cyclohexane-1-carboxamide
CID 62782752
4-amino-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylcyclohexane-1-carboxamide
CID 62781952
6-[methyl(pentan-3-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 43570957
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylcyclohexane-1-carboxamide
CID 79312799
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylcyclohexane-1-carboxamide
CID 63684313
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
CID 112659082

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,2-dimethyl-N-pentan-3-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N,2-dimethyl-N-pentan-3-ylcyclohexane-1-carboxamide (CID 62783517) is 4-amino-N,2-dimethyl-N-pentan-3-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N,2-dimethyl-N-pentan-3-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N,2-dimethyl-N-pentan-3-ylcyclohexane-1-carboxamide is CCC(CC)N(C)C(=O)C1CCC(N)CC1C.
What is the InChIKey of 4-amino-N,2-dimethyl-N-pentan-3-ylcyclohexane-1-carboxamide?
The InChIKey is PJKSEXQUBXVLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-12(6-2)16(4)14(17)13-8-7-11(15)9-10(13)3/h10-13H,5-9,15H2,1-4H3.
What are the key properties of 4-amino-N,2-dimethyl-N-pentan-3-ylcyclohexane-1-carboxamide?
4-amino-N,2-dimethyl-N-pentan-3-ylcyclohexane-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,2-dimethyl-N-pentan-3-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 62783517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).