5-methyl-1-(2-methylpropylamino)-2-propan-2-ylcyclohexane-1-carboxamide

C15H30N2O — CID 54892056

IUPAC5-methyl-1-(2-methylpropylamino)-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)CNC1(C(N)=O)CC(C)CCC1C(C)C
InChIInChI=1S/C15H30N2O/c1-10(2)9-17-15(14(16)18)8-12(5)6-7-13(15)11(3)4/h10-13,17H,6-9H2,1-5H3,(H2,16,18)
InChIKeyNDHFEVFUSGBQBX-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.55
Rot. Bonds5

About 5-methyl-1-(2-methylpropylamino)-2-propan-2-ylcyclohexane-1-carboxamide

5-methyl-1-(2-methylpropylamino)-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 54892056) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 5-methyl-1-(2-methylpropylamino)-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(2-methylpropylamino)-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID54892056
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name5-methyl-1-(2-methylpropylamino)-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)CNC1(C(N)=O)CC(C)CCC1C(C)C
InChIInChI=1S/C15H30N2O/c1-10(2)9-17-15(14(16)18)8-12(5)6-7-13(15)11(3)4/h10-13,17H,6-9H2,1-5H3,(H2,16,18)
InChIKeyNDHFEVFUSGBQBX-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylpropylamino)-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 5-methyl-1-(2-methylpropylamino)-2-propan-2-ylcyclohexane-1-carboxamide (CID 54892056) is 5-methyl-1-(2-methylpropylamino)-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-methyl-1-(2-methylpropylamino)-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 5-methyl-1-(2-methylpropylamino)-2-propan-2-ylcyclohexane-1-carboxamide is CC(C)CNC1(C(N)=O)CC(C)CCC1C(C)C.
What is the InChIKey of 5-methyl-1-(2-methylpropylamino)-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is NDHFEVFUSGBQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-10(2)9-17-15(14(16)18)8-12(5)6-7-13(15)11(3)4/h10-13,17H,6-9H2,1-5H3,(H2,16,18).
What are the key properties of 5-methyl-1-(2-methylpropylamino)-2-propan-2-ylcyclohexane-1-carboxamide?
5-methyl-1-(2-methylpropylamino)-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylpropylamino)-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 54892056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).