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-(2,2-diethyl-4-hydroxybutyl)-2-methylcyclopropane-1-carboxamide
CID 71917016
N-(6-Aminohexyl)-6-hydroxyhexanamide
CID 3024494
4,4,4-trifluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]butanamide
CID 114751517
6-amino-N-(6-hydroxyhexyl)hexanamide
CID 82681825
N-(3,3-dimethylbutyl)-6-hydroxyhexanamide
CID 118487059
N-(2-hydroxyethyl)-2,2-dimethyl-3-(1-methylcyclopropyl)propanamide
CID 123648661
2-tert-butyl-N-(4-hydroxybutyl)-4,4-dimethylpentanamide
CID 126722846
6-Amino-1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]hexan-1-one
CID 134168399
6-Amino-1-[4-(deuteriomethyl)-4-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 140837339
6-Amino-1-[4-(hydroxymethyl)-4-(tritiomethyl)piperidin-1-yl]hexan-1-one
CID 140837397
N-[4-[1-(hydroxymethyl)cyclopropyl]butyl]propanamide
CID 143646587
N-[2-(hexanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide
CID 145077831

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).