3-propoxyprop-1-ene-1,1-diamine

C6H14N2O — CID 163903342

IUPAC3-propoxyprop-1-ene-1,1-diamine
SMILESCCCOCC=C(N)N
InChIInChI=1S/C6H14N2O/c1-2-4-9-5-3-6(7)8/h3H,2,4-5,7-8H2,1H3
InChIKeyQLTRYRWMLBGUIC-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.17
Rot. Bonds4

About 3-propoxyprop-1-ene-1,1-diamine

3-propoxyprop-1-ene-1,1-diamine (PubChem CID 163903342) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-propoxyprop-1-ene-1,1-diamine.

Molecular Properties

Compound Name3-propoxyprop-1-ene-1,1-diamine
PubChem CID163903342
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name3-propoxyprop-1-ene-1,1-diamine
SMILESCCCOCC=C(N)N
InChIInChI=1S/C6H14N2O/c1-2-4-9-5-3-6(7)8/h3H,2,4-5,7-8H2,1H3
InChIKeyQLTRYRWMLBGUIC-UHFFFAOYSA-N
XLogP0.17
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-propoxyprop-1-ene-1,1-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

methane;1-prop-2-enoxypropane
CID 157267338
azane;1-prop-2-enoxypropane
CID 87450499
3-propoxypropanethioamide
CID 43248084
2-(2-propoxyethoxy)ethanethioamide
CID 63686022
2,6-dimethyl-8-propoxyocta-1,6-diene
CID 91499323
(E)-2-methyl-4-pentoxybut-2-enamide
CID 140533648
(Z)-pent-2-ene;(2E,4Z)-6-propoxyhexa-2,4-dien-3-ol
CID 142009179
(6E)-3,6-dimethyl-8-propoxyocta-1,6-diene
CID 87448606
2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate
CID 177163981
N-methyl-N-[(Z)-4-propoxybut-2-en-2-yl]aniline
CID 176922442
3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 138616319
4-butoxy-1,1,1-trifluoro-2-methylbut-2-ene
CID 123790817

Frequently Asked Questions

What is the IUPAC name of 3-propoxyprop-1-ene-1,1-diamine?
The IUPAC name of 3-propoxyprop-1-ene-1,1-diamine (CID 163903342) is 3-propoxyprop-1-ene-1,1-diamine.
What is the SMILES notation for 3-propoxyprop-1-ene-1,1-diamine?
The canonical SMILES for 3-propoxyprop-1-ene-1,1-diamine is CCCOCC=C(N)N.
What is the InChIKey of 3-propoxyprop-1-ene-1,1-diamine?
The InChIKey is QLTRYRWMLBGUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-2-4-9-5-3-6(7)8/h3H,2,4-5,7-8H2,1H3.
What are the key properties of 3-propoxyprop-1-ene-1,1-diamine?
3-propoxyprop-1-ene-1,1-diamine has a molecular weight of 130.19 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxyprop-1-ene-1,1-diamine is sourced from PubChem (CID 163903342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).