1-(aminomethyl)-N-[2-(2-hydroxyethyl)pentyl]cyclobutane-1-carboxamide

C13H26N2O2 — CID 106116673

IUPAC1-(aminomethyl)-N-[2-(2-hydroxyethyl)pentyl]cyclobutane-1-carboxamide
SMILESCCCC(CCO)CNC(=O)C1(CN)CCC1
InChIInChI=1S/C13H26N2O2/c1-2-4-11(5-8-16)9-15-12(17)13(10-14)6-3-7-13/h11,16H,2-10,14H2,1H3,(H,15,17)
InChIKeyTVBRTEVKFFSGES-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.03
Rot. Bonds8

About 1-(aminomethyl)-N-[2-(2-hydroxyethyl)pentyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-[2-(2-hydroxyethyl)pentyl]cyclobutane-1-carboxamide (PubChem CID 106116673) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(2-hydroxyethyl)pentyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(2-hydroxyethyl)pentyl]cyclobutane-1-carboxamide
PubChem CID106116673
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(aminomethyl)-N-[2-(2-hydroxyethyl)pentyl]cyclobutane-1-carboxamide
SMILESCCCC(CCO)CNC(=O)C1(CN)CCC1
InChIInChI=1S/C13H26N2O2/c1-2-4-11(5-8-16)9-15-12(17)13(10-14)6-3-7-13/h11,16H,2-10,14H2,1H3,(H,15,17)
InChIKeyTVBRTEVKFFSGES-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)cyclobutane-1-carboxamide
CID 115448709
1-amino-N-[2-(2-hydroxyethyl)pentyl]cyclohexane-1-carboxamide
CID 106116803
1-(aminomethyl)-N-(2-hydroxypentyl)cyclopentane-1-carboxamide
CID 115739396
2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]butanoic acid
CID 115448625
3-ethyl-N-[2-(2-hydroxyethyl)pentyl]pyrrolidine-3-carboxamide
CID 106116627
1-cyano-N-[2-(2-hydroxyethyl)pentyl]cyclohexane-1-carboxamide
CID 103722771
1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide
CID 115406460
1-(aminomethyl)-N-(1-hydroxypentan-3-yl)cyclohexane-1-carboxamide
CID 113495813
1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221086
1-amino-N-(2-propylhexyl)cyclopentane-1-carboxamide
CID 119339779
1-[2-(2-hydroxyethyl)pentyl]-3-[(1-methylcyclopentyl)methyl]urea
CID 111506160
4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide
CID 103725573

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(2-hydroxyethyl)pentyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-(2-hydroxyethyl)pentyl]cyclobutane-1-carboxamide (CID 106116673) is 1-(aminomethyl)-N-[2-(2-hydroxyethyl)pentyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(2-hydroxyethyl)pentyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-(2-hydroxyethyl)pentyl]cyclobutane-1-carboxamide is CCCC(CCO)CNC(=O)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(2-hydroxyethyl)pentyl]cyclobutane-1-carboxamide?
The InChIKey is TVBRTEVKFFSGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-4-11(5-8-16)9-15-12(17)13(10-14)6-3-7-13/h11,16H,2-10,14H2,1H3,(H,15,17).
What are the key properties of 1-(aminomethyl)-N-[2-(2-hydroxyethyl)pentyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[2-(2-hydroxyethyl)pentyl]cyclobutane-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.03, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(2-hydroxyethyl)pentyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 106116673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).