1-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide

C13H26N2O2 — CID 64550859

IUPAC1-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)N(CCO)C(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)15(7-8-16)12(17)13(14)6-4-5-11(3)9-13/h10-11,16H,4-9,14H2,1-3H3
InChIKeyMWGRDOBALIFNPG-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.12
Rot. Bonds4

About 1-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide

1-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 64550859) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID64550859
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)N(CCO)C(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)15(7-8-16)12(17)13(14)6-4-5-11(3)9-13/h10-11,16H,4-9,14H2,1-3H3
InChIKeyMWGRDOBALIFNPG-UHFFFAOYSA-N
XLogP1.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-amino-3-methylcyclohexanecarbonyl)-propan-2-ylamino]butanoic acid
CID 64552529
1-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylcyclohexane-1-carboxamide
CID 64549832
1-amino-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 64549410
2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid
CID 64555060
1-amino-N-cyclopropyl-3-methyl-N-propylcyclohexane-1-carboxamide
CID 64550261
1-amino-3-methyl-N,N-dipentylcyclohexane-1-carboxamide
CID 64549829
1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide
CID 114948978
1-amino-N-propan-2-yl-N-propylcyclobutane-1-carboxamide
CID 81179596
2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid
CID 64552528
1-carbamothioyl-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 80590089
2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]butanoic acid
CID 64554226
1-amino-N-(cyclopropylmethyl)-3-methyl-N-propylcyclohexane-1-carboxamide
CID 64551240

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide (CID 64550859) is 1-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)N(CCO)C(C)C)C1.
What is the InChIKey of 1-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is MWGRDOBALIFNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)15(7-8-16)12(17)13(14)6-4-5-11(3)9-13/h10-11,16H,4-9,14H2,1-3H3.
What are the key properties of 1-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide?
1-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 64550859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).