3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol

C13H21NO2 — CID 66004063

IUPAC3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol
SMILESCC(CCc1ccco1)NCC1CC(O)C1
InChIInChI=1S/C13H21NO2/c1-10(4-5-13-3-2-6-16-13)14-9-11-7-12(15)8-11/h2-3,6,10-12,14-15H,4-5,7-9H2,1H3
InChIKeyHEUKHHNMAUIMAL-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.96
Rot. Bonds6

About 3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol

3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol (PubChem CID 66004063) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol
PubChem CID66004063
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol
SMILESCC(CCc1ccco1)NCC1CC(O)C1
InChIInChI=1S/C13H21NO2/c1-10(4-5-13-3-2-6-16-13)14-9-11-7-12(15)8-11/h2-3,6,10-12,14-15H,4-5,7-9H2,1H3
InChIKeyHEUKHHNMAUIMAL-UHFFFAOYSA-N
XLogP1.96
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 55191977
4-(furan-2-yl)-N-[(2-methylcyclohexyl)methyl]butan-2-amine
CID 55013434
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol
CID 66004794
N-cyclopropyl-4-[4-(furan-2-yl)butan-2-ylamino]butanamide
CID 79394921
N-but-2-ynyl-4-(furan-2-yl)butan-2-amine
CID 62311547
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
N'-cyclopropyl-N-[4-(furan-2-yl)butan-2-yl]-N'-methylethane-1,2-diamine
CID 55142379
N-[4-(furan-2-yl)butan-2-yl]-2-methylpentan-1-amine
CID 43205393
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]pentan-2-amine
CID 63842275
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)butan-2-amine
CID 66392797
N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine
CID 107444697
4-[4-(furan-2-yl)butan-2-ylamino]-3,3-dimethylbutan-1-ol
CID 103787562

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol (CID 66004063) is 3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol is CC(CCc1ccco1)NCC1CC(O)C1.
What is the InChIKey of 3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol?
The InChIKey is HEUKHHNMAUIMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(4-5-13-3-2-6-16-13)14-9-11-7-12(15)8-11/h2-3,6,10-12,14-15H,4-5,7-9H2,1H3.
What are the key properties of 3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol?
3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66004063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).