N'-(oxolan-3-ylmethyl)-N-prop-2-enylethane-1,2-diamine

C10H20N2O — CID 79278632

IUPACN'-(oxolan-3-ylmethyl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCNCC1CCOC1
InChIInChI=1S/C10H20N2O/c1-2-4-11-5-6-12-8-10-3-7-13-9-10/h2,10-12H,1,3-9H2
InChIKeyJPALMXGOXNHDBW-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.39
Rot. Bonds7

About N'-(oxolan-3-ylmethyl)-N-prop-2-enylethane-1,2-diamine

N'-(oxolan-3-ylmethyl)-N-prop-2-enylethane-1,2-diamine (PubChem CID 79278632) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N'-(oxolan-3-ylmethyl)-N-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(oxolan-3-ylmethyl)-N-prop-2-enylethane-1,2-diamine
PubChem CID79278632
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN'-(oxolan-3-ylmethyl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCNCC1CCOC1
InChIInChI=1S/C10H20N2O/c1-2-4-11-5-6-12-8-10-3-7-13-9-10/h2,10-12H,1,3-9H2
InChIKeyJPALMXGOXNHDBW-UHFFFAOYSA-N
XLogP0.39
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 62331521
CID 62331521
CID 65385562
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CID 28420264
CID 28420264
CID 28420266
CID 28420266
CID 43189600
CID 43189600
CID 53409459
CID 53409459
CID 62262395
CID 62262395
CID 62262396
CID 62262396
CID 62262399
CID 62262399
CID 64313590
CID 64313590
CID 64315580
CID 64315580
CID 64315581
CID 64315581

Frequently Asked Questions

What is the IUPAC name of N'-(oxolan-3-ylmethyl)-N-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-(oxolan-3-ylmethyl)-N-prop-2-enylethane-1,2-diamine (CID 79278632) is N'-(oxolan-3-ylmethyl)-N-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-(oxolan-3-ylmethyl)-N-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-(oxolan-3-ylmethyl)-N-prop-2-enylethane-1,2-diamine is C=CCNCCNCC1CCOC1.
What is the InChIKey of N'-(oxolan-3-ylmethyl)-N-prop-2-enylethane-1,2-diamine?
The InChIKey is JPALMXGOXNHDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-4-11-5-6-12-8-10-3-7-13-9-10/h2,10-12H,1,3-9H2.
What are the key properties of N'-(oxolan-3-ylmethyl)-N-prop-2-enylethane-1,2-diamine?
N'-(oxolan-3-ylmethyl)-N-prop-2-enylethane-1,2-diamine has a molecular weight of 184.28 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxolan-3-ylmethyl)-N-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 79278632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).