N'-(oxolan-3-ylmethyl)propane-1,3-diamine

C8H18N2O — CID 10909843

IUPACN'-(oxolan-3-ylmethyl)propane-1,3-diamine
SMILESNCCCNCC1CCOC1
InChIInChI=1S/C8H18N2O/c9-3-1-4-10-6-8-2-5-11-7-8/h8,10H,1-7,9H2
InChIKeyGYSVUBXRSLLTSL-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.04
Rot. Bonds5

About N'-(oxolan-3-ylmethyl)propane-1,3-diamine

N'-(oxolan-3-ylmethyl)propane-1,3-diamine (PubChem CID 10909843) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N'-(oxolan-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(oxolan-3-ylmethyl)propane-1,3-diamine
PubChem CID10909843
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN'-(oxolan-3-ylmethyl)propane-1,3-diamine
SMILESNCCCNCC1CCOC1
InChIInChI=1S/C8H18N2O/c9-3-1-4-10-6-8-2-5-11-7-8/h8,10H,1-7,9H2
InChIKeyGYSVUBXRSLLTSL-UHFFFAOYSA-N
XLogP-0.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.04
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'-(oxolan-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(oxolan-3-ylmethyl)propane-1,3-diamine (CID 10909843) is N'-(oxolan-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(oxolan-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(oxolan-3-ylmethyl)propane-1,3-diamine is NCCCNCC1CCOC1.
What is the InChIKey of N'-(oxolan-3-ylmethyl)propane-1,3-diamine?
The InChIKey is GYSVUBXRSLLTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c9-3-1-4-10-6-8-2-5-11-7-8/h8,10H,1-7,9H2.
What are the key properties of N'-(oxolan-3-ylmethyl)propane-1,3-diamine?
N'-(oxolan-3-ylmethyl)propane-1,3-diamine has a molecular weight of 158.24 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxolan-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 10909843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).