2-amino-N-(3-hydroxycyclohexyl)-3-methylbutanamide

C11H22N2O2 — CID 43696106

IUPAC2-amino-N-(3-hydroxycyclohexyl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NC1CCCC(O)C1
InChIInChI=1S/C11H22N2O2/c1-7(2)10(12)11(15)13-8-4-3-5-9(14)6-8/h7-10,14H,3-6,12H2,1-2H3,(H,13,15)
InChIKeyPUAXPBKHJVPPNI-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.39
Rot. Bonds3

About 2-amino-N-(3-hydroxycyclohexyl)-3-methylbutanamide

2-amino-N-(3-hydroxycyclohexyl)-3-methylbutanamide (PubChem CID 43696106) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxycyclohexyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxycyclohexyl)-3-methylbutanamide
PubChem CID43696106
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-N-(3-hydroxycyclohexyl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NC1CCCC(O)C1
InChIInChI=1S/C11H22N2O2/c1-7(2)10(12)11(15)13-8-4-3-5-9(14)6-8/h7-10,14H,3-6,12H2,1-2H3,(H,13,15)
InChIKeyPUAXPBKHJVPPNI-UHFFFAOYSA-N
XLogP0.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxycyclohexyl)-3-methylbutanamide?
The IUPAC name of 2-amino-N-(3-hydroxycyclohexyl)-3-methylbutanamide (CID 43696106) is 2-amino-N-(3-hydroxycyclohexyl)-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-(3-hydroxycyclohexyl)-3-methylbutanamide?
The canonical SMILES for 2-amino-N-(3-hydroxycyclohexyl)-3-methylbutanamide is CC(C)C(N)C(=O)NC1CCCC(O)C1.
What is the InChIKey of 2-amino-N-(3-hydroxycyclohexyl)-3-methylbutanamide?
The InChIKey is PUAXPBKHJVPPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-7(2)10(12)11(15)13-8-4-3-5-9(14)6-8/h7-10,14H,3-6,12H2,1-2H3,(H,13,15).
What are the key properties of 2-amino-N-(3-hydroxycyclohexyl)-3-methylbutanamide?
2-amino-N-(3-hydroxycyclohexyl)-3-methylbutanamide has a molecular weight of 214.31 g/mol, XLogP of 0.39, 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-hydroxycyclohexyl)-3-methylbutanamide is sourced from PubChem (CID 43696106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).