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

C15H30N2O — CID 55115501

IUPAC3-amino-N,2-dimethyl-N-(4-methylpentan-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)CC(C)N(C)C(=O)C1CCCC(N)C1C
InChIInChI=1S/C15H30N2O/c1-10(2)9-11(3)17(5)15(18)13-7-6-8-14(16)12(13)4/h10-14H,6-9,16H2,1-5H3
InChIKeyHOCHYYDZFLIPRT-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.64
Rot. Bonds4

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

3-amino-N,2-dimethyl-N-(4-methylpentan-2-yl)cyclohexane-1-carboxamide (PubChem CID 55115501) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-(4-methylpentan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-(4-methylpentan-2-yl)cyclohexane-1-carboxamide
PubChem CID55115501
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-amino-N,2-dimethyl-N-(4-methylpentan-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)CC(C)N(C)C(=O)C1CCCC(N)C1C
InChIInChI=1S/C15H30N2O/c1-10(2)9-11(3)17(5)15(18)13-7-6-8-14(16)12(13)4/h10-14H,6-9,16H2,1-5H3
InChIKeyHOCHYYDZFLIPRT-UHFFFAOYSA-N
XLogP2.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-(4-methylpentan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-(4-methylpentan-2-yl)cyclohexane-1-carboxamide (CID 55115501) is 3-amino-N,2-dimethyl-N-(4-methylpentan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-(4-methylpentan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-(4-methylpentan-2-yl)cyclohexane-1-carboxamide is CC(C)CC(C)N(C)C(=O)C1CCCC(N)C1C.
What is the InChIKey of 3-amino-N,2-dimethyl-N-(4-methylpentan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is HOCHYYDZFLIPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-10(2)9-11(3)17(5)15(18)13-7-6-8-14(16)12(13)4/h10-14H,6-9,16H2,1-5H3.
What are the key properties of 3-amino-N,2-dimethyl-N-(4-methylpentan-2-yl)cyclohexane-1-carboxamide?
3-amino-N,2-dimethyl-N-(4-methylpentan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-(4-methylpentan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 55115501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).