2-[(2-hydroxycyclohexyl)methyl-methylamino]butanamide

C12H24N2O2 — CID 75448406

IUPAC2-[(2-hydroxycyclohexyl)methyl-methylamino]butanamide
SMILESCCC(C(N)=O)N(C)CC1CCCCC1O
InChIInChI=1S/C12H24N2O2/c1-3-10(12(13)16)14(2)8-9-6-4-5-7-11(9)15/h9-11,15H,3-8H2,1-2H3,(H2,13,16)
InChIKeyKHQVSVQVZHLALE-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.73
Rot. Bonds5

About 2-[(2-hydroxycyclohexyl)methyl-methylamino]butanamide

2-[(2-hydroxycyclohexyl)methyl-methylamino]butanamide (PubChem CID 75448406) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)methyl-methylamino]butanamide.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)methyl-methylamino]butanamide
PubChem CID75448406
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[(2-hydroxycyclohexyl)methyl-methylamino]butanamide
SMILESCCC(C(N)=O)N(C)CC1CCCCC1O
InChIInChI=1S/C12H24N2O2/c1-3-10(12(13)16)14(2)8-9-6-4-5-7-11(9)15/h9-11,15H,3-8H2,1-2H3,(H2,13,16)
InChIKeyKHQVSVQVZHLALE-UHFFFAOYSA-N
XLogP0.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)methyl-methylamino]butanamide?
The IUPAC name of 2-[(2-hydroxycyclohexyl)methyl-methylamino]butanamide (CID 75448406) is 2-[(2-hydroxycyclohexyl)methyl-methylamino]butanamide.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)methyl-methylamino]butanamide?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)methyl-methylamino]butanamide is CCC(C(N)=O)N(C)CC1CCCCC1O.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)methyl-methylamino]butanamide?
The InChIKey is KHQVSVQVZHLALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-10(12(13)16)14(2)8-9-6-4-5-7-11(9)15/h9-11,15H,3-8H2,1-2H3,(H2,13,16).
What are the key properties of 2-[(2-hydroxycyclohexyl)methyl-methylamino]butanamide?
2-[(2-hydroxycyclohexyl)methyl-methylamino]butanamide has a molecular weight of 228.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)methyl-methylamino]butanamide is sourced from PubChem (CID 75448406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).