1-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)cyclobutane-1-carboxamide

C12H24N2O2 — CID 115448709

IUPAC1-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)cyclobutane-1-carboxamide
SMILESCCC(CCO)CNC(=O)C1(CN)CCC1
InChIInChI=1S/C12H24N2O2/c1-2-10(4-7-15)8-14-11(16)12(9-13)5-3-6-12/h10,15H,2-9,13H2,1H3,(H,14,16)
InChIKeyZDXAKQBVWPTWBG-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.64
Rot. Bonds7

About 1-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)cyclobutane-1-carboxamide (PubChem CID 115448709) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)cyclobutane-1-carboxamide
PubChem CID115448709
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)cyclobutane-1-carboxamide
SMILESCCC(CCO)CNC(=O)C1(CN)CCC1
InChIInChI=1S/C12H24N2O2/c1-2-10(4-7-15)8-14-11(16)12(9-13)5-3-6-12/h10,15H,2-9,13H2,1H3,(H,14,16)
InChIKeyZDXAKQBVWPTWBG-UHFFFAOYSA-N
XLogP0.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[2-(2-hydroxyethyl)pentyl]cyclobutane-1-carboxamide
CID 106116673
2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]butanoic acid
CID 115448625
1-(aminomethyl)-N-(1-hydroxypentan-3-yl)cyclohexane-1-carboxamide
CID 113495813
1-(aminomethyl)-N-(2-hydroxypentyl)cyclopentane-1-carboxamide
CID 115739396
1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide
CID 115406460
1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221086
1-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide
CID 107152969
1-amino-N-[2-(2-hydroxyethyl)pentyl]cyclohexane-1-carboxamide
CID 106116803
N-(4-bromo-2-ethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114317729
1-(aminomethyl)-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
CID 115406466
1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide
CID 106842065
(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid
CID 107825006

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)cyclobutane-1-carboxamide (CID 115448709) is 1-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)cyclobutane-1-carboxamide is CCC(CCO)CNC(=O)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)cyclobutane-1-carboxamide?
The InChIKey is ZDXAKQBVWPTWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-10(4-7-15)8-14-11(16)12(9-13)5-3-6-12/h10,15H,2-9,13H2,1H3,(H,14,16).
What are the key properties of 1-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)cyclobutane-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115448709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).