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

C13H26N2O — CID 60786058

IUPAC1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CC(C)CCC1C(C)C
InChIInChI=1S/C13H26N2O/c1-5-15-13(12(14)16)8-10(4)6-7-11(13)9(2)3/h9-11,15H,5-8H2,1-4H3,(H2,14,16)
InChIKeyHETZJDQQKGRUML-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.91
Rot. Bonds4

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

1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 60786058) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID60786058
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CC(C)CCC1C(C)C
InChIInChI=1S/C13H26N2O/c1-5-15-13(12(14)16)8-10(4)6-7-11(13)9(2)3/h9-11,15H,5-8H2,1-4H3,(H2,14,16)
InChIKeyHETZJDQQKGRUML-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 60786058) is 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CCNC1(C(N)=O)CC(C)CCC1C(C)C.
What is the InChIKey of 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is HETZJDQQKGRUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-15-13(12(14)16)8-10(4)6-7-11(13)9(2)3/h9-11,15H,5-8H2,1-4H3,(H2,14,16).
What are the key properties of 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 60786058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).