N'-(2-methyl-3H-furan-2-yl)propane-1,3-diamine

C8H16N2O — CID 70561204

IUPACN'-(2-methyl-3H-furan-2-yl)propane-1,3-diamine
SMILESCC1(NCCCN)CC=CO1
InChIInChI=1S/C8H16N2O/c1-8(4-2-7-11-8)10-6-3-5-9/h2,7,10H,3-6,9H2,1H3
InChIKeyPZXIBOOKYCTHBB-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.57
Rot. Bonds4

About N'-(2-methyl-3H-furan-2-yl)propane-1,3-diamine

N'-(2-methyl-3H-furan-2-yl)propane-1,3-diamine (PubChem CID 70561204) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N'-(2-methyl-3H-furan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methyl-3H-furan-2-yl)propane-1,3-diamine
PubChem CID70561204
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN'-(2-methyl-3H-furan-2-yl)propane-1,3-diamine
SMILESCC1(NCCCN)CC=CO1
InChIInChI=1S/C8H16N2O/c1-8(4-2-7-11-8)10-6-3-5-9/h2,7,10H,3-6,9H2,1H3
InChIKeyPZXIBOOKYCTHBB-UHFFFAOYSA-N
XLogP0.57
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-3H-furan-2-yl)propane-1,3-diamine?
The IUPAC name of N'-(2-methyl-3H-furan-2-yl)propane-1,3-diamine (CID 70561204) is N'-(2-methyl-3H-furan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methyl-3H-furan-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methyl-3H-furan-2-yl)propane-1,3-diamine is CC1(NCCCN)CC=CO1.
What is the InChIKey of N'-(2-methyl-3H-furan-2-yl)propane-1,3-diamine?
The InChIKey is PZXIBOOKYCTHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(4-2-7-11-8)10-6-3-5-9/h2,7,10H,3-6,9H2,1H3.
What are the key properties of N'-(2-methyl-3H-furan-2-yl)propane-1,3-diamine?
N'-(2-methyl-3H-furan-2-yl)propane-1,3-diamine has a molecular weight of 156.23 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-3H-furan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 70561204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).