(3E)-3-[ethenyl(methyl)hydrazinylidene]-N-methylbutan-1-amine

C8H17N3 — CID 142531060

IUPAC(3E)-3-[ethenyl(methyl)hydrazinylidene]-N-methylbutan-1-amine
SMILESC=CN(C)/N=C(\C)CCNC
InChIInChI=1S/C8H17N3/c1-5-11(4)10-8(2)6-7-9-3/h5,9H,1,6-7H2,2-4H3/b10-8+
InChIKeyYXVMOVUVVMVRDN-CSKARUKUSA-N
MW155.24 g/mol
LogP1.05
Rot. Bonds5

About (3E)-3-[ethenyl(methyl)hydrazinylidene]-N-methylbutan-1-amine

(3E)-3-[ethenyl(methyl)hydrazinylidene]-N-methylbutan-1-amine (PubChem CID 142531060) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is (3E)-3-[ethenyl(methyl)hydrazinylidene]-N-methylbutan-1-amine.

Molecular Properties

Compound Name(3E)-3-[ethenyl(methyl)hydrazinylidene]-N-methylbutan-1-amine
PubChem CID142531060
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name(3E)-3-[ethenyl(methyl)hydrazinylidene]-N-methylbutan-1-amine
SMILESC=CN(C)/N=C(\C)CCNC
InChIInChI=1S/C8H17N3/c1-5-11(4)10-8(2)6-7-9-3/h5,9H,1,6-7H2,2-4H3/b10-8+
InChIKeyYXVMOVUVVMVRDN-CSKARUKUSA-N
XLogP1.05
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-but-3-en-2-ylideneamino]-N-methylethenamine;ethane
CID 177175992
N-[4-(methylamino)butan-2-ylidene]methanimidamide
CID 118973434
N-methyl-N-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenamine
CID 170123131
N,3-dimethylbut-3-en-1-amine;hydrochloride
CID 155386259
(Z)-1-N,1-N,4-N-trimethylbut-1-ene-1,2,4-triamine
CID 143220567
ethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine
CID 142873485
1-(methylamino)hept-6-en-3-one
CID 116561070
(Z)-3-methyl-5-(methylamino)pent-2-enal
CID 142916627
3-cyclopropyl-N-methylbut-3-en-1-amine
CID 117269164
(1Z)-N-ethenyl-N,2-dimethylbuta-1,3-dien-1-amine
CID 143349848
(3Z)-7-(methylamino)-5-methylidenehepta-1,3-dien-2-ol
CID 143258823
5,5,5-trifluoro-N,4-dimethylpent-3-en-1-amine
CID 79599341

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[ethenyl(methyl)hydrazinylidene]-N-methylbutan-1-amine?
The IUPAC name of (3E)-3-[ethenyl(methyl)hydrazinylidene]-N-methylbutan-1-amine (CID 142531060) is (3E)-3-[ethenyl(methyl)hydrazinylidene]-N-methylbutan-1-amine.
What is the SMILES notation for (3E)-3-[ethenyl(methyl)hydrazinylidene]-N-methylbutan-1-amine?
The canonical SMILES for (3E)-3-[ethenyl(methyl)hydrazinylidene]-N-methylbutan-1-amine is C=CN(C)/N=C(\C)CCNC.
What is the InChIKey of (3E)-3-[ethenyl(methyl)hydrazinylidene]-N-methylbutan-1-amine?
The InChIKey is YXVMOVUVVMVRDN-CSKARUKUSA-N. The full InChI is InChI=1S/C8H17N3/c1-5-11(4)10-8(2)6-7-9-3/h5,9H,1,6-7H2,2-4H3/b10-8+.
What are the key properties of (3E)-3-[ethenyl(methyl)hydrazinylidene]-N-methylbutan-1-amine?
(3E)-3-[ethenyl(methyl)hydrazinylidene]-N-methylbutan-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[ethenyl(methyl)hydrazinylidene]-N-methylbutan-1-amine is sourced from PubChem (CID 142531060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).