(Z)-3-methyl-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine

C9H16N2 — CID 89384623

IUPAC(Z)-3-methyl-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine
SMILESC=C(C)/N=C/C(=C\N)C(C)C
InChIInChI=1S/C9H16N2/c1-7(2)9(5-10)6-11-8(3)4/h5-7H,3,10H2,1-2,4H3/b9-5+,11-6+
InChIKeyTVTYOWUJVZVKRI-MPEOSAONSA-N
MW152.24 g/mol
LogP2.09
Rot. Bonds3

About (Z)-3-methyl-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine

(Z)-3-methyl-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine (PubChem CID 89384623) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z)-3-methyl-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-methyl-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine
PubChem CID89384623
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(Z)-3-methyl-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine
SMILESC=C(C)/N=C/C(=C\N)C(C)C
InChIInChI=1S/C9H16N2/c1-7(2)9(5-10)6-11-8(3)4/h5-7H,3,10H2,1-2,4H3/b9-5+,11-6+
InChIKeyTVTYOWUJVZVKRI-MPEOSAONSA-N
XLogP2.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.09
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 (Z)-3-methyl-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine?
The IUPAC name of (Z)-3-methyl-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine (CID 89384623) is (Z)-3-methyl-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine.
What is the SMILES notation for (Z)-3-methyl-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine?
The canonical SMILES for (Z)-3-methyl-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine is C=C(C)/N=C/C(=C\N)C(C)C.
What is the InChIKey of (Z)-3-methyl-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine?
The InChIKey is TVTYOWUJVZVKRI-MPEOSAONSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)9(5-10)6-11-8(3)4/h5-7H,3,10H2,1-2,4H3/b9-5+,11-6+.
What are the key properties of (Z)-3-methyl-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine?
(Z)-3-methyl-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine has a molecular weight of 152.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine is sourced from PubChem (CID 89384623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).