3-[[(Z)-prop-1-enyl]iminomethyl]but-3-en-1-amine

C8H14N2 — CID 143110053

IUPAC3-[[(Z)-prop-1-enyl]iminomethyl]but-3-en-1-amine
SMILESC=C(/C=N/C=C\C)CCN
InChIInChI=1S/C8H14N2/c1-3-6-10-7-8(2)4-5-9/h3,6-7H,2,4-5,9H2,1H3/b6-3-,10-7+
InChIKeyCGJOOYSBNBRVTB-PPHVVYHHSA-N
MW138.21 g/mol
LogP1.50
Rot. Bonds4

About 3-[[(Z)-prop-1-enyl]iminomethyl]but-3-en-1-amine

3-[[(Z)-prop-1-enyl]iminomethyl]but-3-en-1-amine (PubChem CID 143110053) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-[[(Z)-prop-1-enyl]iminomethyl]but-3-en-1-amine.

Molecular Properties

Compound Name3-[[(Z)-prop-1-enyl]iminomethyl]but-3-en-1-amine
PubChem CID143110053
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-[[(Z)-prop-1-enyl]iminomethyl]but-3-en-1-amine
SMILESC=C(/C=N/C=C\C)CCN
InChIInChI=1S/C8H14N2/c1-3-6-10-7-8(2)4-5-9/h3,6-7H,2,4-5,9H2,1H3/b6-3-,10-7+
InChIKeyCGJOOYSBNBRVTB-PPHVVYHHSA-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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Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-prop-1-enyl]iminomethyl]but-3-en-1-amine?
The IUPAC name of 3-[[(Z)-prop-1-enyl]iminomethyl]but-3-en-1-amine (CID 143110053) is 3-[[(Z)-prop-1-enyl]iminomethyl]but-3-en-1-amine.
What is the SMILES notation for 3-[[(Z)-prop-1-enyl]iminomethyl]but-3-en-1-amine?
The canonical SMILES for 3-[[(Z)-prop-1-enyl]iminomethyl]but-3-en-1-amine is C=C(/C=N/C=C\C)CCN.
What is the InChIKey of 3-[[(Z)-prop-1-enyl]iminomethyl]but-3-en-1-amine?
The InChIKey is CGJOOYSBNBRVTB-PPHVVYHHSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-6-10-7-8(2)4-5-9/h3,6-7H,2,4-5,9H2,1H3/b6-3-,10-7+.
What are the key properties of 3-[[(Z)-prop-1-enyl]iminomethyl]but-3-en-1-amine?
3-[[(Z)-prop-1-enyl]iminomethyl]but-3-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 3-[[(Z)-prop-1-enyl]iminomethyl]but-3-en-1-amine is sourced from PubChem (CID 143110053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).