1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide

C10H20N2O2 — CID 106842065

IUPAC1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NCCCCO)CCC1
InChIInChI=1S/C10H20N2O2/c11-8-10(4-3-5-10)9(14)12-6-1-2-7-13/h13H,1-8,11H2,(H,12,14)
InChIKeyHNWAIZKBJWPECR-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.00
Rot. Bonds6

About 1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide (PubChem CID 106842065) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide
PubChem CID106842065
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NCCCCO)CCC1
InChIInChI=1S/C10H20N2O2/c11-8-10(4-3-5-10)9(14)12-6-1-2-7-13/h13H,1-8,11H2,(H,12,14)
InChIKeyHNWAIZKBJWPECR-UHFFFAOYSA-N
XLogP0.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.00
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

1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide
CID 107317645
1-(aminomethyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 80587383
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
CID 115435094
1-ethyl-N-(5-hydroxypentyl)cyclopentane-1-carboxamide
CID 107318578
7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid
CID 115437669
1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide
CID 113327212
1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 115437743
1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide
CID 115448338
1-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]cyclopropane-1-carboxamide
CID 115453135
1-(aminomethyl)-N-(3-methylsulfinylpropyl)cyclopentane-1-carboxamide
CID 115739260
1-(aminomethyl)-N-(4,4,4-trifluorobutyl)cycloheptane-1-carboxamide
CID 115517722
1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide
CID 114140196

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide (CID 106842065) is 1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide is NCC1(C(=O)NCCCCO)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide?
The InChIKey is HNWAIZKBJWPECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c11-8-10(4-3-5-10)9(14)12-6-1-2-7-13/h13H,1-8,11H2,(H,12,14).
What are the key properties of 1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 106842065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).