2-amino-N,3-dimethyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide

C14H28N2O — CID 62782688

IUPAC2-amino-N,3-dimethyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)C(C)N(C)C(=O)C1CCCC(C)C1N
InChIInChI=1S/C14H28N2O/c1-9(2)11(4)16(5)14(17)12-8-6-7-10(3)13(12)15/h9-13H,6-8,15H2,1-5H3
InChIKeyBPHDIHFYXWRBMT-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.25
Rot. Bonds3

About 2-amino-N,3-dimethyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide

2-amino-N,3-dimethyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide (PubChem CID 62782688) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-amino-N,3-dimethyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N,3-dimethyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide
PubChem CID62782688
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-amino-N,3-dimethyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)C(C)N(C)C(=O)C1CCCC(C)C1N
InChIInChI=1S/C14H28N2O/c1-9(2)11(4)16(5)14(17)12-8-6-7-10(3)13(12)15/h9-13H,6-8,15H2,1-5H3
InChIKeyBPHDIHFYXWRBMT-UHFFFAOYSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3-dimethyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N,3-dimethyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide (CID 62782688) is 2-amino-N,3-dimethyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N,3-dimethyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N,3-dimethyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide is CC(C)C(C)N(C)C(=O)C1CCCC(C)C1N.
What is the InChIKey of 2-amino-N,3-dimethyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is BPHDIHFYXWRBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-9(2)11(4)16(5)14(17)12-8-6-7-10(3)13(12)15/h9-13H,6-8,15H2,1-5H3.
What are the key properties of 2-amino-N,3-dimethyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide?
2-amino-N,3-dimethyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,3-dimethyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62782688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).