3-(furan-3-ylmethyl)-N-propyloxan-4-amine

C13H21NO2 — CID 106469611

IUPAC3-(furan-3-ylmethyl)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1Cc1ccoc1
InChIInChI=1S/C13H21NO2/c1-2-5-14-13-4-7-16-10-12(13)8-11-3-6-15-9-11/h3,6,9,12-14H,2,4-5,7-8,10H2,1H3
InChIKeyADCWYSUUNFLHDK-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.23
Rot. Bonds5

About 3-(furan-3-ylmethyl)-N-propyloxan-4-amine

3-(furan-3-ylmethyl)-N-propyloxan-4-amine (PubChem CID 106469611) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(furan-3-ylmethyl)-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-(furan-3-ylmethyl)-N-propyloxan-4-amine
PubChem CID106469611
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-(furan-3-ylmethyl)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1Cc1ccoc1
InChIInChI=1S/C13H21NO2/c1-2-5-14-13-4-7-16-10-12(13)8-11-3-6-15-9-11/h3,6,9,12-14H,2,4-5,7-8,10H2,1H3
InChIKeyADCWYSUUNFLHDK-UHFFFAOYSA-N
XLogP2.23
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dimethylphenyl)methyl]-N-propyloxan-4-amine
CID 106469556
N-propyl-3-(thiophen-3-ylmethyl)oxan-4-amine
CID 106469570
(3R,4R)-3-[(4-chlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177537
3-hexyl-N-propyloxan-4-amine
CID 106469429
3-[[cyclopropyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058724
3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-propyloxan-4-amine
CID 106469561
3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060387
N-[2-(furan-3-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 83175448
3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-propyloxan-4-amine
CID 106469545
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-propyloxan-4-amine
CID 106469534
3-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058819
N-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine
CID 106469390

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-ylmethyl)-N-propyloxan-4-amine?
The IUPAC name of 3-(furan-3-ylmethyl)-N-propyloxan-4-amine (CID 106469611) is 3-(furan-3-ylmethyl)-N-propyloxan-4-amine.
What is the SMILES notation for 3-(furan-3-ylmethyl)-N-propyloxan-4-amine?
The canonical SMILES for 3-(furan-3-ylmethyl)-N-propyloxan-4-amine is CCCNC1CCOCC1Cc1ccoc1.
What is the InChIKey of 3-(furan-3-ylmethyl)-N-propyloxan-4-amine?
The InChIKey is ADCWYSUUNFLHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-5-14-13-4-7-16-10-12(13)8-11-3-6-15-9-11/h3,6,9,12-14H,2,4-5,7-8,10H2,1H3.
What are the key properties of 3-(furan-3-ylmethyl)-N-propyloxan-4-amine?
3-(furan-3-ylmethyl)-N-propyloxan-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-ylmethyl)-N-propyloxan-4-amine is sourced from PubChem (CID 106469611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).