6-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]hexanamide

C12H24N2O2 — CID 114756702

IUPAC6-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]hexanamide
SMILESNCCCCCC(=O)NCC1(CCO)CC1
InChIInChI=1S/C12H24N2O2/c13-8-3-1-2-4-11(16)14-10-12(5-6-12)7-9-15/h15H,1-10,13H2,(H,14,16)
InChIKeyFWPYUTDCTKDYQK-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.78
Rot. Bonds9

About 6-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]hexanamide

6-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]hexanamide (PubChem CID 114756702) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 6-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]hexanamide
PubChem CID114756702
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name6-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]hexanamide
SMILESNCCCCCC(=O)NCC1(CCO)CC1
InChIInChI=1S/C12H24N2O2/c13-8-3-1-2-4-11(16)14-10-12(5-6-12)7-9-15/h15H,1-10,13H2,(H,14,16)
InChIKeyFWPYUTDCTKDYQK-UHFFFAOYSA-N
XLogP0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]heptanamide
CID 114754126
6-amino-N-[(1-propan-2-ylcyclopropyl)methyl]hexanamide
CID 105056131
7-amino-N-[(1-benzylcyclobutyl)methyl]heptanamide;hydrochloride
CID 119821633
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-ethoxybutanamide
CID 114758885
3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide
CID 103796646
3-cyclopentyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
CID 114751583
4-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]butanamide;hydrochloride
CID 119339921
N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide
CID 115456236
1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445879
2-(dimethylamino)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114757294
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxyacetamide
CID 114751101
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-phenylbutanamide
CID 114758855

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]hexanamide?
The IUPAC name of 6-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]hexanamide (CID 114756702) is 6-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]hexanamide.
What is the SMILES notation for 6-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]hexanamide?
The canonical SMILES for 6-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]hexanamide is NCCCCCC(=O)NCC1(CCO)CC1.
What is the InChIKey of 6-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]hexanamide?
The InChIKey is FWPYUTDCTKDYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c13-8-3-1-2-4-11(16)14-10-12(5-6-12)7-9-15/h15H,1-10,13H2,(H,14,16).
What are the key properties of 6-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]hexanamide?
6-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]hexanamide has a molecular weight of 228.34 g/mol, XLogP of 0.78, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]hexanamide is sourced from PubChem (CID 114756702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).