2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide

C14H28N2O2 — CID 106188227

IUPAC2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide
SMILESCC(C)(O)C(C)(C)NC(=O)C1CCCCCC1N
InChIInChI=1S/C14H28N2O2/c1-13(2,14(3,4)18)16-12(17)10-8-6-5-7-9-11(10)15/h10-11,18H,5-9,15H2,1-4H3,(H,16,17)
InChIKeyFPIGHTXDZZZGKF-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.56
Rot. Bonds3

About 2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide

2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide (PubChem CID 106188227) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide
PubChem CID106188227
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide
SMILESCC(C)(O)C(C)(C)NC(=O)C1CCCCCC1N
InChIInChI=1S/C14H28N2O2/c1-13(2,14(3,4)18)16-12(17)10-8-6-5-7-9-11(10)15/h10-11,18H,5-9,15H2,1-4H3,(H,16,17)
InChIKeyFPIGHTXDZZZGKF-UHFFFAOYSA-N
XLogP1.56
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclohexyl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65106131
2-(1-aminocyclohexyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65106178
N-(2-hydroxy-2-methylpropyl)cycloheptanecarboxamide
CID 65109460
N-(2-hydroxy-2-methylbutyl)cycloheptanecarboxamide
CID 65112079
N-(2-ethyl-2-hydroxybutyl)cycloheptanecarboxamide
CID 65114082
N-(2-hydroxy-2-methylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65241214
N-(2-ethyl-2-hydroxybutyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65241215
6-amino-N-(2-hydroxy-2-methylbutyl)-2-methylheptanamide
CID 65291694
6-amino-N-(2-ethyl-2-hydroxybutyl)-2-methylheptanamide
CID 65291743
2-(1-aminocyclohexyl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66174279
N-(2-hydroxy-2,4-dimethylpentyl)cycloheptanecarboxamide
CID 66179954
2-amino-N-(1-hydroxybutan-2-yl)cycloheptane-1-carboxamide
CID 80151296

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide?
The IUPAC name of 2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide (CID 106188227) is 2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide?
The canonical SMILES for 2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide is CC(C)(O)C(C)(C)NC(=O)C1CCCCCC1N.
What is the InChIKey of 2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide?
The InChIKey is FPIGHTXDZZZGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,14(3,4)18)16-12(17)10-8-6-5-7-9-11(10)15/h10-11,18H,5-9,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide?
2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide is sourced from PubChem (CID 106188227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).