4-[[1-(furan-2-yl)propan-2-ylamino]methyl]oxolan-3-amine

C12H20N2O2 — CID 66237936

IUPAC4-[[1-(furan-2-yl)propan-2-ylamino]methyl]oxolan-3-amine
SMILESCC(Cc1ccco1)NCC1COCC1N
InChIInChI=1S/C12H20N2O2/c1-9(5-11-3-2-4-16-11)14-6-10-7-15-8-12(10)13/h2-4,9-10,12,14H,5-8,13H2,1H3
InChIKeyUGRJUPVSKSTQSQ-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.77
Rot. Bonds5

About 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]oxolan-3-amine

4-[[1-(furan-2-yl)propan-2-ylamino]methyl]oxolan-3-amine (PubChem CID 66237936) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[1-(furan-2-yl)propan-2-ylamino]methyl]oxolan-3-amine
PubChem CID66237936
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-[[1-(furan-2-yl)propan-2-ylamino]methyl]oxolan-3-amine
SMILESCC(Cc1ccco1)NCC1COCC1N
InChIInChI=1S/C12H20N2O2/c1-9(5-11-3-2-4-16-11)14-6-10-7-15-8-12(10)13/h2-4,9-10,12,14H,5-8,13H2,1H3
InChIKeyUGRJUPVSKSTQSQ-UHFFFAOYSA-N
XLogP0.77
TPSA60.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]oxolan-3-amine with MolForge

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Related Compounds

4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N-methyloxolan-3-amine
CID 66247559
2-[[1-(furan-2-yl)propan-2-ylamino]methyl]cyclopentan-1-amine
CID 64851073
1-(furan-2-yl)-N-(oxolan-3-ylmethyl)propan-2-amine
CID 43693110
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(furan-2-yl)propan-2-amine
CID 79527667
1-(furan-2-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine
CID 63085135
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
4-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1,4-diamine
CID 63086190
1-(furan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-2-amine
CID 106902071
N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine
CID 64568053
1-N-[1-(furan-2-yl)propan-2-yl]-4-methylpentane-1,2-diamine
CID 61470414
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(furan-2-yl)propan-2-amine
CID 79078659
N'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine
CID 61470742

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]oxolan-3-amine (CID 66237936) is 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]oxolan-3-amine is CC(Cc1ccco1)NCC1COCC1N.
What is the InChIKey of 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]oxolan-3-amine?
The InChIKey is UGRJUPVSKSTQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(5-11-3-2-4-16-11)14-6-10-7-15-8-12(10)13/h2-4,9-10,12,14H,5-8,13H2,1H3.
What are the key properties of 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]oxolan-3-amine?
4-[[1-(furan-2-yl)propan-2-ylamino]methyl]oxolan-3-amine has a molecular weight of 224.30 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]oxolan-3-amine is sourced from PubChem (CID 66237936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).