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

C8H14N2 — CID 89286528

IUPAC(Z)-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine
SMILESC=C(C)/N=C/C(=C\N)CC
InChIInChI=1S/C8H14N2/c1-4-8(5-9)6-10-7(2)3/h5-6H,2,4,9H2,1,3H3/b8-5-,10-6+
InChIKeyVLJGRVNOEZBFQN-YBMVAOSUSA-N
MW138.21 g/mol
LogP1.84
Rot. Bonds3

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

(Z)-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine (PubChem CID 89286528) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (Z)-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine
PubChem CID89286528
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(Z)-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine
SMILESC=C(C)/N=C/C(=C\N)CC
InChIInChI=1S/C8H14N2/c1-4-8(5-9)6-10-7(2)3/h5-6H,2,4,9H2,1,3H3/b8-5-,10-6+
InChIKeyVLJGRVNOEZBFQN-YBMVAOSUSA-N
XLogP1.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.84
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)-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine?
The IUPAC name of (Z)-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine (CID 89286528) is (Z)-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine.
What is the SMILES notation for (Z)-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine?
The canonical SMILES for (Z)-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine is C=C(C)/N=C/C(=C\N)CC.
What is the InChIKey of (Z)-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine?
The InChIKey is VLJGRVNOEZBFQN-YBMVAOSUSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-8(5-9)6-10-7(2)3/h5-6H,2,4,9H2,1,3H3/b8-5-,10-6+.
What are the key properties of (Z)-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine?
(Z)-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine is sourced from PubChem (CID 89286528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).