(Z)-3-(methyliminomethyl)pent-2-en-2-amine

C7H14N2 — CID 146215270

IUPAC(Z)-3-(methyliminomethyl)pent-2-en-2-amine
SMILESCCC(/C=N/C)=C(\C)N
InChIInChI=1S/C7H14N2/c1-4-7(5-9-3)6(2)8/h5H,4,8H2,1-3H3/b7-6-,9-5+
InChIKeyIVGHGZCZWLIXJC-QRLJIZSYSA-N
MW126.20 g/mol
LogP1.33
Rot. Bonds2

About (Z)-3-(methyliminomethyl)pent-2-en-2-amine

(Z)-3-(methyliminomethyl)pent-2-en-2-amine (PubChem CID 146215270) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (Z)-3-(methyliminomethyl)pent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-3-(methyliminomethyl)pent-2-en-2-amine
PubChem CID146215270
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(Z)-3-(methyliminomethyl)pent-2-en-2-amine
SMILESCCC(/C=N/C)=C(\C)N
InChIInChI=1S/C7H14N2/c1-4-7(5-9-3)6(2)8/h5H,4,8H2,1-3H3/b7-6-,9-5+
InChIKeyIVGHGZCZWLIXJC-QRLJIZSYSA-N
XLogP1.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.33
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-(methyliminomethyl)pent-2-en-2-amine?
The IUPAC name of (Z)-3-(methyliminomethyl)pent-2-en-2-amine (CID 146215270) is (Z)-3-(methyliminomethyl)pent-2-en-2-amine.
What is the SMILES notation for (Z)-3-(methyliminomethyl)pent-2-en-2-amine?
The canonical SMILES for (Z)-3-(methyliminomethyl)pent-2-en-2-amine is CCC(/C=N/C)=C(\C)N.
What is the InChIKey of (Z)-3-(methyliminomethyl)pent-2-en-2-amine?
The InChIKey is IVGHGZCZWLIXJC-QRLJIZSYSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-7(5-9-3)6(2)8/h5H,4,8H2,1-3H3/b7-6-,9-5+.
What are the key properties of (Z)-3-(methyliminomethyl)pent-2-en-2-amine?
(Z)-3-(methyliminomethyl)pent-2-en-2-amine has a molecular weight of 126.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(methyliminomethyl)pent-2-en-2-amine is sourced from PubChem (CID 146215270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).