2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide

C11H22N2O2 — CID 103950304

IUPAC2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide
SMILESCCC(N)C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C11H22N2O2/c1-2-10(12)11(15)13-7-8-4-3-5-9(14)6-8/h8-10,14H,2-7,12H2,1H3,(H,13,15)
InChIKeyHLWONHPYHJMPFJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.39
Rot. Bonds4

About 2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide

2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide (PubChem CID 103950304) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide
PubChem CID103950304
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide
SMILESCCC(N)C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C11H22N2O2/c1-2-10(12)11(15)13-7-8-4-3-5-9(14)6-8/h8-10,14H,2-7,12H2,1H3,(H,13,15)
InChIKeyHLWONHPYHJMPFJ-UHFFFAOYSA-N
XLogP0.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide
CID 103950314
2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide
CID 106128023
2-amino-N-[(3-hydroxycyclopentyl)methyl]hexanamide
CID 106134012
3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methoxypropanamide
CID 106135074
2-ethyl-N-[(3-hydroxycyclopentyl)methyl]butanamide
CID 103279737
2-amino-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106134063
2-amino-3-cyclohexyl-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 114264790
3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide
CID 106135106
2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 106135166
4-amino-5-[(3-hydroxycyclopentyl)methylamino]-5-oxopentanoic acid
CID 106134041
5-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide
CID 114148164
2-amino-N-(cyclobutylmethyl)-3-methoxypropanamide
CID 81080963

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide?
The IUPAC name of 2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide (CID 103950304) is 2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide.
What is the SMILES notation for 2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide?
The canonical SMILES for 2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide is CCC(N)C(=O)NCC1CCCC(O)C1.
What is the InChIKey of 2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide?
The InChIKey is HLWONHPYHJMPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-10(12)11(15)13-7-8-4-3-5-9(14)6-8/h8-10,14H,2-7,12H2,1H3,(H,13,15).
What are the key properties of 2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide?
2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.39, 4 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)methyl]butanamide is sourced from PubChem (CID 103950304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).