2-(but-1-enyliminomethyl)prop-2-en-1-amine

C8H14N2 — CID 123525870

IUPAC2-(but-1-enyliminomethyl)prop-2-en-1-amine
SMILESC=C(/C=N/C=CCC)CN
InChIInChI=1S/C8H14N2/c1-3-4-5-10-7-8(2)6-9/h4-5,7H,2-3,6,9H2,1H3/b5-4?,10-7+
InChIKeyXFBJFZYDOWGSRU-HBPCAZATSA-N
MW138.21 g/mol
LogP1.50
Rot. Bonds4

About 2-(but-1-enyliminomethyl)prop-2-en-1-amine

2-(but-1-enyliminomethyl)prop-2-en-1-amine (PubChem CID 123525870) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(but-1-enyliminomethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(but-1-enyliminomethyl)prop-2-en-1-amine
PubChem CID123525870
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-(but-1-enyliminomethyl)prop-2-en-1-amine
SMILESC=C(/C=N/C=CCC)CN
InChIInChI=1S/C8H14N2/c1-3-4-5-10-7-8(2)6-9/h4-5,7H,2-3,6,9H2,1H3/b5-4?,10-7+
InChIKeyXFBJFZYDOWGSRU-HBPCAZATSA-N
XLogP1.50
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.50
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

4H-pyridin-3-ylidenemethanamine
CID 54165081
(Z)-2-(2-methylprop-2-enylideneamino)ethenamine
CID 88251982
(Z)-2-(2-methylidenebutylideneamino)ethenamine
CID 88273445
(Z)-2-(methyliminomethyl)but-1-en-1-amine
CID 88563723
(Z)-3-ethenylimino-2-methylprop-1-en-1-amine
CID 88568702
(Z)-2-(ethenyliminomethyl)-3-methylbut-1-en-1-amine
CID 89002194
(Z)-3-(2-methylprop-1-enylimino)prop-1-en-1-amine
CID 89075506
(E)-4-ethenylimino-2-methylbut-2-en-1-amine
CID 89185833
(E)-4-ethenylimino-2-ethylbut-2-en-1-amine
CID 89270126
(Z)-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine
CID 89286528
(Z)-2-(2-methylidenebutylideneamino)but-1-en-1-amine
CID 89286529
(1E)-3-methyl-2-(prop-2-enylideneamino)buta-1,3-dien-1-amine
CID 89339713

Frequently Asked Questions

What is the IUPAC name of 2-(but-1-enyliminomethyl)prop-2-en-1-amine?
The IUPAC name of 2-(but-1-enyliminomethyl)prop-2-en-1-amine (CID 123525870) is 2-(but-1-enyliminomethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(but-1-enyliminomethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(but-1-enyliminomethyl)prop-2-en-1-amine is C=C(/C=N/C=CCC)CN.
What is the InChIKey of 2-(but-1-enyliminomethyl)prop-2-en-1-amine?
The InChIKey is XFBJFZYDOWGSRU-HBPCAZATSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-4-5-10-7-8(2)6-9/h4-5,7H,2-3,6,9H2,1H3/b5-4?,10-7+.
What are the key properties of 2-(but-1-enyliminomethyl)prop-2-en-1-amine?
2-(but-1-enyliminomethyl)prop-2-en-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-1-enyliminomethyl)prop-2-en-1-amine is sourced from PubChem (CID 123525870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).