3-iminopropane-1,1-diamine

C3H9N3 — CID 123272207

IUPAC3-iminopropane-1,1-diamine
SMILES[H]/N=C/CC(N)N
InChIInChI=1S/C3H9N3/c4-2-1-3(5)6/h2-4H,1,5-6H2/b4-2+
InChIKeyUEVHAXHIVGWLFH-DUXPYHPUSA-N
MW87.13 g/mol
LogP-0.73
Rot. Bonds2

About 3-iminopropane-1,1-diamine

3-iminopropane-1,1-diamine (PubChem CID 123272207) has the molecular formula C3H9N3 and a molecular weight of 87.13 g/mol. Its IUPAC name is 3-iminopropane-1,1-diamine.

Molecular Properties

Compound Name3-iminopropane-1,1-diamine
PubChem CID123272207
Molecular FormulaC3H9N3
Molecular Weight87.13 g/mol
Exact Mass87.08
IUPAC Name3-iminopropane-1,1-diamine
SMILES[H]/N=C/CC(N)N
InChIInChI=1S/C3H9N3/c4-2-1-3(5)6/h2-4H,1,5-6H2/b4-2+
InChIKeyUEVHAXHIVGWLFH-DUXPYHPUSA-N
XLogP-0.73
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.13
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-imino-2-methylbutanamide
CID 174442854
4-imino-2-methylbutanal
CID 148810573
propane-1,3-diimine
CID 18934492
3-ethylphosphanylbutan-1-imine
CID 123356939
2-ethyl-4-iminobutanal
CID 173121317
3,6-dimethylheptan-1-imine
CID 175257042
[(2S)-4-iminobutan-2-yl]-methylcarbamic acid
CID 175269858
(3R)-5-imino-3-methylpent-1-en-2-ol
CID 152818333
4-imino-1-methoxy-N-methylbutan-2-amine
CID 88905400
5-imino-3-methylidene-1-phosphanylpentan-2-amine
CID 154977410
ethenyl 4-imino-2-methoxybutanoate
CID 163859415
(3S)-3-methyl-4-pyrrolidin-1-ylbutan-1-imine
CID 174577570

Frequently Asked Questions

What is the IUPAC name of 3-iminopropane-1,1-diamine?
The IUPAC name of 3-iminopropane-1,1-diamine (CID 123272207) is 3-iminopropane-1,1-diamine.
What is the SMILES notation for 3-iminopropane-1,1-diamine?
The canonical SMILES for 3-iminopropane-1,1-diamine is [H]/N=C/CC(N)N.
What is the InChIKey of 3-iminopropane-1,1-diamine?
The InChIKey is UEVHAXHIVGWLFH-DUXPYHPUSA-N. The full InChI is InChI=1S/C3H9N3/c4-2-1-3(5)6/h2-4H,1,5-6H2/b4-2+.
What are the key properties of 3-iminopropane-1,1-diamine?
3-iminopropane-1,1-diamine has a molecular weight of 87.13 g/mol, XLogP of -0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminopropane-1,1-diamine is sourced from PubChem (CID 123272207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).