2-amino-N-[2-(dimethylamino)ethyl]-6-methyl-N-propylcyclohexane-1-carboxamide

C15H31N3O — CID 55114970

IUPAC2-amino-N-[2-(dimethylamino)ethyl]-6-methyl-N-propylcyclohexane-1-carboxamide
SMILESCCCN(CCN(C)C)C(=O)C1C(C)CCCC1N
InChIInChI=1S/C15H31N3O/c1-5-9-18(11-10-17(3)4)15(19)14-12(2)7-6-8-13(14)16/h12-14H,5-11,16H2,1-4H3
InChIKeyXLNKKGOLCLUGSX-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.55
Rot. Bonds6

About 2-amino-N-[2-(dimethylamino)ethyl]-6-methyl-N-propylcyclohexane-1-carboxamide

2-amino-N-[2-(dimethylamino)ethyl]-6-methyl-N-propylcyclohexane-1-carboxamide (PubChem CID 55114970) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)ethyl]-6-methyl-N-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)ethyl]-6-methyl-N-propylcyclohexane-1-carboxamide
PubChem CID55114970
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-amino-N-[2-(dimethylamino)ethyl]-6-methyl-N-propylcyclohexane-1-carboxamide
SMILESCCCN(CCN(C)C)C(=O)C1C(C)CCCC1N
InChIInChI=1S/C15H31N3O/c1-5-9-18(11-10-17(3)4)15(19)14-12(2)7-6-8-13(14)16/h12-14H,5-11,16H2,1-4H3
InChIKeyXLNKKGOLCLUGSX-UHFFFAOYSA-N
XLogP1.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-6-methyl-N-propylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-6-methyl-N-propylcyclohexane-1-carboxamide (CID 55114970) is 2-amino-N-[2-(dimethylamino)ethyl]-6-methyl-N-propylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)ethyl]-6-methyl-N-propylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)ethyl]-6-methyl-N-propylcyclohexane-1-carboxamide is CCCN(CCN(C)C)C(=O)C1C(C)CCCC1N.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)ethyl]-6-methyl-N-propylcyclohexane-1-carboxamide?
The InChIKey is XLNKKGOLCLUGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-9-18(11-10-17(3)4)15(19)14-12(2)7-6-8-13(14)16/h12-14H,5-11,16H2,1-4H3.
What are the key properties of 2-amino-N-[2-(dimethylamino)ethyl]-6-methyl-N-propylcyclohexane-1-carboxamide?
2-amino-N-[2-(dimethylamino)ethyl]-6-methyl-N-propylcyclohexane-1-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)ethyl]-6-methyl-N-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 55114970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).