3-(methylideneamino)prop-1-en-1-amine

C4H8N2 — CID 173404308

IUPAC3-(methylideneamino)prop-1-en-1-amine
SMILESC=NCC=CN
InChIInChI=1S/C4H8N2/c1-6-4-2-3-5/h2-3H,1,4-5H2
InChIKeyBWLRFVMBRVZCBP-UHFFFAOYSA-N
MW84.12 g/mol
LogP0.16
Rot. Bonds2

About 3-(methylideneamino)prop-1-en-1-amine

3-(methylideneamino)prop-1-en-1-amine (PubChem CID 173404308) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is 3-(methylideneamino)prop-1-en-1-amine.

Molecular Properties

Compound Name3-(methylideneamino)prop-1-en-1-amine
PubChem CID173404308
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Name3-(methylideneamino)prop-1-en-1-amine
SMILESC=NCC=CN
InChIInChI=1S/C4H8N2/c1-6-4-2-3-5/h2-3H,1,4-5H2
InChIKeyBWLRFVMBRVZCBP-UHFFFAOYSA-N
XLogP0.16
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-but-2-enyl]methanimine
CID 18710621
N-[(E)-3-methylsulfanylprop-2-enyl]methanimine
CID 118675776
(1Z)-nona-1,8-dien-1-amine
CID 149197195
3-silylprop-1-en-1-amine
CID 173000291
prop-1-ene-1,3-diamine;hydroiodide
CID 173353144
(2Z,4Z)-2-ethenyl-3-hydroxy-6-(methylideneamino)hexa-2,4-dienoic acid
CID 135234523
(E)-3-[(E)-3-aminoprop-2-enoxy]prop-1-en-1-amine
CID 67841047
octa-1,5,7-trien-1-amine
CID 76706648
ethane-1,2-diol;ethenamine
CID 87086084
(1Z,5Z)-hepta-1,5-dien-1-amine
CID 152891623
(Z)-4,4,4-trifluorobut-1-en-1-amine
CID 142852189
(E)-pent-1-ene-1,5-diamine
CID 87610087

Frequently Asked Questions

What is the IUPAC name of 3-(methylideneamino)prop-1-en-1-amine?
The IUPAC name of 3-(methylideneamino)prop-1-en-1-amine (CID 173404308) is 3-(methylideneamino)prop-1-en-1-amine.
What is the SMILES notation for 3-(methylideneamino)prop-1-en-1-amine?
The canonical SMILES for 3-(methylideneamino)prop-1-en-1-amine is C=NCC=CN.
What is the InChIKey of 3-(methylideneamino)prop-1-en-1-amine?
The InChIKey is BWLRFVMBRVZCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2/c1-6-4-2-3-5/h2-3H,1,4-5H2.
What are the key properties of 3-(methylideneamino)prop-1-en-1-amine?
3-(methylideneamino)prop-1-en-1-amine has a molecular weight of 84.12 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylideneamino)prop-1-en-1-amine is sourced from PubChem (CID 173404308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).