(Z)-3,3-dimethyl-4-(2-methylprop-1-enylimino)but-1-en-1-amine;ethane

C12H24N2 — CID 143070239

IUPAC(Z)-3,3-dimethyl-4-(2-methylprop-1-enylimino)but-1-en-1-amine;ethane
SMILESCC.CC(C)=C/N=C/C(C)(C)/C=C\N
InChIInChI=1S/C10H18N2.C2H6/c1-9(2)7-12-8-10(3,4)5-6-11;1-2/h5-8H,11H2,1-4H3;1-2H3/b6-5-,12-8+;
InChIKeyJIJWXFNPEFXJJE-AXNMIULBSA-N
MW196.34 g/mol
LogP3.51
Rot. Bonds3

About (Z)-3,3-dimethyl-4-(2-methylprop-1-enylimino)but-1-en-1-amine;ethane

(Z)-3,3-dimethyl-4-(2-methylprop-1-enylimino)but-1-en-1-amine;ethane (PubChem CID 143070239) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (Z)-3,3-dimethyl-4-(2-methylprop-1-enylimino)but-1-en-1-amine;ethane.

Molecular Properties

Compound Name(Z)-3,3-dimethyl-4-(2-methylprop-1-enylimino)but-1-en-1-amine;ethane
PubChem CID143070239
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(Z)-3,3-dimethyl-4-(2-methylprop-1-enylimino)but-1-en-1-amine;ethane
SMILESCC.CC(C)=C/N=C/C(C)(C)/C=C\N
InChIInChI=1S/C10H18N2.C2H6/c1-9(2)7-12-8-10(3,4)5-6-11;1-2/h5-8H,11H2,1-4H3;1-2H3/b6-5-,12-8+;
InChIKeyJIJWXFNPEFXJJE-AXNMIULBSA-N
XLogP3.51
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.51
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

N-[(Z)-3,3-dimethylbut-1-enyl]-2,2-dimethylpropan-1-imine
CID 59734363
2,2-dimethyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine
CID 59848846
(Z)-2-(2-methylidenebutylideneamino)ethenamine
CID 88273445
N,2,2-trimethyl-N'-[(Z)-prop-1-enyl]propane-1,3-diimine
CID 88972420
(Z)-2-(ethenyliminomethyl)-3-methylbut-1-en-1-amine
CID 89002194
(Z)-4-imino-3,3-dimethylbut-1-en-1-amine
CID 89031865
(Z)-2-(2-methylidenebutylideneamino)but-1-en-1-amine
CID 89286529
N-[(Z)-3,3-dimethyl-1,2-ditritiobut-1-enyl]-2,2-dimethyl-1-tritiopropan-1-imine
CID 118606013
(1Z,3Z)-2-ethenyl-4-(ethylideneamino)buta-1,3-dien-1-amine
CID 123299110
4-(Pentylideneamino)but-3-en-1-amine
CID 123473715
2-(But-1-enyliminomethyl)prop-2-en-1-amine
CID 123525870
2-[[(Z)-2,2-dimethyl-4-(methylideneamino)but-3-enylidene]amino]-N-methylethenamine
CID 129033098

Frequently Asked Questions

What is the IUPAC name of (Z)-3,3-dimethyl-4-(2-methylprop-1-enylimino)but-1-en-1-amine;ethane?
The IUPAC name of (Z)-3,3-dimethyl-4-(2-methylprop-1-enylimino)but-1-en-1-amine;ethane (CID 143070239) is (Z)-3,3-dimethyl-4-(2-methylprop-1-enylimino)but-1-en-1-amine;ethane.
What is the SMILES notation for (Z)-3,3-dimethyl-4-(2-methylprop-1-enylimino)but-1-en-1-amine;ethane?
The canonical SMILES for (Z)-3,3-dimethyl-4-(2-methylprop-1-enylimino)but-1-en-1-amine;ethane is CC.CC(C)=C/N=C/C(C)(C)/C=C\N.
What is the InChIKey of (Z)-3,3-dimethyl-4-(2-methylprop-1-enylimino)but-1-en-1-amine;ethane?
The InChIKey is JIJWXFNPEFXJJE-AXNMIULBSA-N. The full InChI is InChI=1S/C10H18N2.C2H6/c1-9(2)7-12-8-10(3,4)5-6-11;1-2/h5-8H,11H2,1-4H3;1-2H3/b6-5-,12-8+;.
What are the key properties of (Z)-3,3-dimethyl-4-(2-methylprop-1-enylimino)but-1-en-1-amine;ethane?
(Z)-3,3-dimethyl-4-(2-methylprop-1-enylimino)but-1-en-1-amine;ethane has a molecular weight of 196.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,3-dimethyl-4-(2-methylprop-1-enylimino)but-1-en-1-amine;ethane is sourced from PubChem (CID 143070239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).