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

C7H16N2O — CID 63335365

IUPACN'-(oxolan-3-yl)propane-1,3-diamine
SMILESNCCCNC1CCOC1
InChIInChI=1S/C7H16N2O/c8-3-1-4-9-7-2-5-10-6-7/h7,9H,1-6,8H2
InChIKeyUECQMVIYANUVDO-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.29
Rot. Bonds4

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

N'-(oxolan-3-yl)propane-1,3-diamine (PubChem CID 63335365) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N'-(oxolan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(oxolan-3-yl)propane-1,3-diamine
PubChem CID63335365
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN'-(oxolan-3-yl)propane-1,3-diamine
SMILESNCCCNC1CCOC1
InChIInChI=1S/C7H16N2O/c8-3-1-4-9-7-2-5-10-6-7/h7,9H,1-6,8H2
InChIKeyUECQMVIYANUVDO-UHFFFAOYSA-N
XLogP-0.29
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.29
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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Related Compounds

N-(4-iodobutyl)oxolan-3-amine
CID 106844615
N-(4,4-dimethylpentyl)oxolan-3-amine
CID 115689448
N'-cyclopropylpropane-1,3-diamine
CID 44784906
N-(4-methoxybutyl)oxolan-3-amine
CID 63335646
N'-hydroxy-4-(oxolan-3-ylamino)butanimidamide
CID 80713618
(3S)-N-[3-(3-methylcyclobutyl)propyl]oxolan-3-amine
CID 167310676
2-methyl-5-(oxolan-3-ylamino)pentan-1-ol
CID 103859420
methanidyl-[2-(oxolan-3-ylamino)ethyl]azanium
CID 88554159
N-(2-methoxyethyl)oxolan-3-amine
CID 63331660
N-(3,3,3-trifluoropropyl)oxolan-3-amine
CID 63335110
N-(2-cyclopentylethyl)oxolan-3-amine
CID 63335422
N-(3-phenoxypropyl)oxolan-3-amine
CID 63335382

Frequently Asked Questions

What is the IUPAC name of N'-(oxolan-3-yl)propane-1,3-diamine?
The IUPAC name of N'-(oxolan-3-yl)propane-1,3-diamine (CID 63335365) is N'-(oxolan-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(oxolan-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-(oxolan-3-yl)propane-1,3-diamine is NCCCNC1CCOC1.
What is the InChIKey of N'-(oxolan-3-yl)propane-1,3-diamine?
The InChIKey is UECQMVIYANUVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c8-3-1-4-9-7-2-5-10-6-7/h7,9H,1-6,8H2.
What are the key properties of N'-(oxolan-3-yl)propane-1,3-diamine?
N'-(oxolan-3-yl)propane-1,3-diamine has a molecular weight of 144.22 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxolan-3-yl)propane-1,3-diamine is sourced from PubChem (CID 63335365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).