(E)-3-(but-3-en-2-ylideneamino)-N,2-dimethylprop-2-en-1-amine;ethane

C11H22N2 — CID 142057454

IUPAC(E)-3-(but-3-en-2-ylideneamino)-N,2-dimethylprop-2-en-1-amine;ethane
SMILESC=C/C(C)=N/C=C(\C)CNC.CC
InChIInChI=1S/C9H16N2.C2H6/c1-5-9(3)11-7-8(2)6-10-4;1-2/h5,7,10H,1,6H2,2-4H3;1-2H3/b8-7+,11-9+;
InChIKeyZXKDHAHHIMRUHW-LOAFRIKVSA-N
MW182.31 g/mol
LogP2.78
Rot. Bonds4

About (E)-3-(but-3-en-2-ylideneamino)-N,2-dimethylprop-2-en-1-amine;ethane

(E)-3-(but-3-en-2-ylideneamino)-N,2-dimethylprop-2-en-1-amine;ethane (PubChem CID 142057454) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (E)-3-(but-3-en-2-ylideneamino)-N,2-dimethylprop-2-en-1-amine;ethane.

Molecular Properties

Compound Name(E)-3-(but-3-en-2-ylideneamino)-N,2-dimethylprop-2-en-1-amine;ethane
PubChem CID142057454
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(E)-3-(but-3-en-2-ylideneamino)-N,2-dimethylprop-2-en-1-amine;ethane
SMILESC=C/C(C)=N/C=C(\C)CNC.CC
InChIInChI=1S/C9H16N2.C2H6/c1-5-9(3)11-7-8(2)6-10-4;1-2/h5,7,10H,1,6H2,2-4H3;1-2H3/b8-7+,11-9+;
InChIKeyZXKDHAHHIMRUHW-LOAFRIKVSA-N
XLogP2.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.78
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

(2E)-2-[[(3-amino-3-fluorobutan-2-ylidene)amino]methylidene]-N-methylbut-3-en-1-amine
CID 156395024
(2E)-N-methyl-2-[(1,1,1-trifluoropropan-2-ylideneamino)methylidene]but-3-en-1-amine
CID 143800580
N-methyl-2-[(E)-3-(methylamino)prop-1-enyl]iminobut-3-en-1-amine
CID 122522672
(Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine
CID 126661608
N-methyl-2-[(Z)-pent-1-enyl]iminopropan-1-amine
CID 126762207
3-(2-methylprop-1-enylimino)-N-(2-methylpropyl)pent-4-en-2-amine
CID 131971008
2-methylidene-N-[(Z)-prop-1-enyl]-1H-pyrrol-3-imine
CID 137176679
2-ethenylimino-N-ethylbut-3-en-1-amine;molecular hydrogen
CID 145065646
(E)-2-(but-3-en-2-ylideneamino)-N-[(Z)-prop-1-enyl]prop-1-en-1-amine
CID 146253082
ethane;(1Z)-3-ethenylimino-2-methylpenta-1,4-dien-1-amine;propane
CID 153377233
2-but-3-enylimino-N-methylpropan-1-amine
CID 154949474
5-Tert-butyl-3-ethenyl-1,2-dihydropyrazine
CID 155371252

Frequently Asked Questions

What is the IUPAC name of (E)-3-(but-3-en-2-ylideneamino)-N,2-dimethylprop-2-en-1-amine;ethane?
The IUPAC name of (E)-3-(but-3-en-2-ylideneamino)-N,2-dimethylprop-2-en-1-amine;ethane (CID 142057454) is (E)-3-(but-3-en-2-ylideneamino)-N,2-dimethylprop-2-en-1-amine;ethane.
What is the SMILES notation for (E)-3-(but-3-en-2-ylideneamino)-N,2-dimethylprop-2-en-1-amine;ethane?
The canonical SMILES for (E)-3-(but-3-en-2-ylideneamino)-N,2-dimethylprop-2-en-1-amine;ethane is C=C/C(C)=N/C=C(\C)CNC.CC.
What is the InChIKey of (E)-3-(but-3-en-2-ylideneamino)-N,2-dimethylprop-2-en-1-amine;ethane?
The InChIKey is ZXKDHAHHIMRUHW-LOAFRIKVSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-5-9(3)11-7-8(2)6-10-4;1-2/h5,7,10H,1,6H2,2-4H3;1-2H3/b8-7+,11-9+;.
What are the key properties of (E)-3-(but-3-en-2-ylideneamino)-N,2-dimethylprop-2-en-1-amine;ethane?
(E)-3-(but-3-en-2-ylideneamino)-N,2-dimethylprop-2-en-1-amine;ethane has a molecular weight of 182.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(but-3-en-2-ylideneamino)-N,2-dimethylprop-2-en-1-amine;ethane is sourced from PubChem (CID 142057454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).