3-methyliminopent-4-en-1-amine

C6H12N2 — CID 144855771

IUPAC3-methyliminopent-4-en-1-amine
SMILESC=C/C(CCN)=N\C
InChIInChI=1S/C6H12N2/c1-3-6(8-2)4-5-7/h3H,1,4-5,7H2,2H3/b8-6+
InChIKeyIFXQUUYJVGYQAO-SOFGYWHQSA-N
MW112.18 g/mol
LogP0.59
Rot. Bonds3

About 3-methyliminopent-4-en-1-amine

3-methyliminopent-4-en-1-amine (PubChem CID 144855771) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 3-methyliminopent-4-en-1-amine.

Molecular Properties

Compound Name3-methyliminopent-4-en-1-amine
PubChem CID144855771
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name3-methyliminopent-4-en-1-amine
SMILESC=C/C(CCN)=N\C
InChIInChI=1S/C6H12N2/c1-3-6(8-2)4-5-7/h3H,1,4-5,7H2,2H3/b8-6+
InChIKeyIFXQUUYJVGYQAO-SOFGYWHQSA-N
XLogP0.59
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.59
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

(Z)-2-(pent-1-en-3-ylideneamino)ethenamine
CID 88936606
(Z)-3-ethenyliminopent-1-ene-1,5-diamine
CID 89018201
(Z)-3-ethenyliminopent-1-en-1-amine
CID 89969593
1-N-methylpent-4-ene-1,3-diimine
CID 123174585
(Z)-4-methyliminohex-2-en-1-amine
CID 123191267
N-(2-iminopropyl)but-3-en-2-imine
CID 123357717
5-Iminohept-6-en-2-amine
CID 123625298
2-(But-3-en-2-ylideneamino)ethanamine
CID 138507977
(Z)-3-methyliminohept-4-en-1-amine
CID 142093160
4-N-methylhexa-1,5-diene-3,4-diimine
CID 142810918
(1S)-1-[(Z)-but-3-en-2-ylideneamino]ethanamine;ethane
CID 144006155
methanimine;N-methylpent-1-en-3-imine
CID 144572310

Frequently Asked Questions

What is the IUPAC name of 3-methyliminopent-4-en-1-amine?
The IUPAC name of 3-methyliminopent-4-en-1-amine (CID 144855771) is 3-methyliminopent-4-en-1-amine.
What is the SMILES notation for 3-methyliminopent-4-en-1-amine?
The canonical SMILES for 3-methyliminopent-4-en-1-amine is C=C/C(CCN)=N\C.
What is the InChIKey of 3-methyliminopent-4-en-1-amine?
The InChIKey is IFXQUUYJVGYQAO-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-6(8-2)4-5-7/h3H,1,4-5,7H2,2H3/b8-6+.
What are the key properties of 3-methyliminopent-4-en-1-amine?
3-methyliminopent-4-en-1-amine has a molecular weight of 112.18 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyliminopent-4-en-1-amine is sourced from PubChem (CID 144855771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).