N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine

C12H28N2O — CID 145422265

IUPACN,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine
SMILESCC.CN.CNC(=O)C1CCC(C)CC1
InChIInChI=1S/C9H17NO.C2H6.CH5N/c1-7-3-5-8(6-4-7)9(11)10-2;2*1-2/h7-8H,3-6H2,1-2H3,(H,10,11);1-2H3;2H2,1H3
InChIKeyWDBPFSWOHMGUNK-UHFFFAOYSA-N
MW216.37 g/mol
LogP2.16
Rot. Bonds1

About N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine

N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine (PubChem CID 145422265) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine.

Molecular Properties

Compound NameN,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine
PubChem CID145422265
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine
SMILESCC.CN.CNC(=O)C1CCC(C)CC1
InChIInChI=1S/C9H17NO.C2H6.CH5N/c1-7-3-5-8(6-4-7)9(11)10-2;2*1-2/h7-8H,3-6H2,1-2H3,(H,10,11);1-2H3;2H2,1H3
InChIKeyWDBPFSWOHMGUNK-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine?
The IUPAC name of N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine (CID 145422265) is N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine.
What is the SMILES notation for N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine?
The canonical SMILES for N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine is CC.CN.CNC(=O)C1CCC(C)CC1.
What is the InChIKey of N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine?
The InChIKey is WDBPFSWOHMGUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6.CH5N/c1-7-3-5-8(6-4-7)9(11)10-2;2*1-2/h7-8H,3-6H2,1-2H3,(H,10,11);1-2H3;2H2,1H3.
What are the key properties of N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine?
N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine has a molecular weight of 216.37 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine is sourced from PubChem (CID 145422265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).