1-(oxan-4-yl)propane-1,3-diamine

C8H18N2O — CID 116932858

IUPAC1-(oxan-4-yl)propane-1,3-diamine
SMILESNCCC(N)C1CCOCC1
InChIInChI=1S/C8H18N2O/c9-4-1-8(10)7-2-5-11-6-3-7/h7-8H,1-6,9-10H2
InChIKeyFTUSUNLNOISOIF-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.09
Rot. Bonds3

About 1-(oxan-4-yl)propane-1,3-diamine

1-(oxan-4-yl)propane-1,3-diamine (PubChem CID 116932858) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-(oxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(oxan-4-yl)propane-1,3-diamine
PubChem CID116932858
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name1-(oxan-4-yl)propane-1,3-diamine
SMILESNCCC(N)C1CCOCC1
InChIInChI=1S/C8H18N2O/c9-4-1-8(10)7-2-5-11-6-3-7/h7-8H,1-6,9-10H2
InChIKeyFTUSUNLNOISOIF-UHFFFAOYSA-N
XLogP0.09
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(oxan-4-yl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(oxan-4-yl)heptan-1-amine
CID 65334749
1-(oxan-4-yl)tridecan-1-amine
CID 65334434
4-methyl-1-(oxan-4-yl)pent-4-en-1-amine
CID 114474933
4,4-difluoro-3-(oxan-4-yl)butan-1-amine
CID 115019360
4-ethoxy-1-(oxan-4-yl)butan-1-amine
CID 105147258
3-methyl-1-(oxan-4-yl)butan-1-amine
CID 63935057
1-(oxan-4-yl)-3-phenylpropan-1-amine
CID 63935277
N'-cyclopropyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 117238528
2-cyclohexyl-1-(oxan-4-yl)ethanamine
CID 65329431
3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine
CID 63935479
1-(oxolan-3-yl)butan-1-amine
CID 63564938
1-(oxan-4-yl)-2-propan-2-ylsulfanylethanamine
CID 65131354

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)propane-1,3-diamine?
The IUPAC name of 1-(oxan-4-yl)propane-1,3-diamine (CID 116932858) is 1-(oxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(oxan-4-yl)propane-1,3-diamine?
The canonical SMILES for 1-(oxan-4-yl)propane-1,3-diamine is NCCC(N)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)propane-1,3-diamine?
The InChIKey is FTUSUNLNOISOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c9-4-1-8(10)7-2-5-11-6-3-7/h7-8H,1-6,9-10H2.
What are the key properties of 1-(oxan-4-yl)propane-1,3-diamine?
1-(oxan-4-yl)propane-1,3-diamine has a molecular weight of 158.24 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 116932858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).