(Z)-N,N-dimethyl-2-(3-methylbutan-2-ylideneamino)but-1-en-1-amine

C11H22N2 — CID 167287449

IUPAC(Z)-N,N-dimethyl-2-(3-methylbutan-2-ylideneamino)but-1-en-1-amine
SMILESCCC(=C/N(C)C)/N=C(\C)C(C)C
InChIInChI=1S/C11H22N2/c1-7-11(8-13(5)6)12-10(4)9(2)3/h8-9H,7H2,1-6H3/b11-8-,12-10+
InChIKeyIYWIISINICBDIX-XNGMQHMOSA-N
MW182.31 g/mol
LogP2.92
Rot. Bonds4

About (Z)-N,N-dimethyl-2-(3-methylbutan-2-ylideneamino)but-1-en-1-amine

(Z)-N,N-dimethyl-2-(3-methylbutan-2-ylideneamino)but-1-en-1-amine (PubChem CID 167287449) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (Z)-N,N-dimethyl-2-(3-methylbutan-2-ylideneamino)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N,N-dimethyl-2-(3-methylbutan-2-ylideneamino)but-1-en-1-amine
PubChem CID167287449
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(Z)-N,N-dimethyl-2-(3-methylbutan-2-ylideneamino)but-1-en-1-amine
SMILESCCC(=C/N(C)C)/N=C(\C)C(C)C
InChIInChI=1S/C11H22N2/c1-7-11(8-13(5)6)12-10(4)9(2)3/h8-9H,7H2,1-6H3/b11-8-,12-10+
InChIKeyIYWIISINICBDIX-XNGMQHMOSA-N
XLogP2.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-5-propan-2-yl-2H-pyrazine
CID 54204493
3-methyl-6-propan-2-yl-2H-pyrazin-2-ide;yttrium
CID 57603261
1,6-dimethyl-3-propan-2-yl-2H-pyrazine
CID 70454200
N-(1,3-dimethyl-2,3-dihydropyrrol-4-yl)propan-2-imine
CID 123666031
1-[Butan-2-ylidene(methyl)azaniumyl]prop-1-en-2-yl-trimethylazanium
CID 123900068
N-[(E)-2,3-dimethylbut-1-enyl]-3-methylbutan-2-imine
CID 126570524
2,5-Di(propan-2-yl)-1,4-diazacyclohepta-2,4,6,7-tetraene
CID 126657785
(Z)-1-(butan-2-ylideneamino)-3-methylbut-1-en-2-amine
CID 126724082
3-methyl-N-[(Z)-3-methyl-1-(methylideneamino)but-1-en-2-yl]butan-2-imine
CID 129168703
3-methyl-N-[(Z)-2-methylbut-1-enyl]butan-2-imine
CID 134581292
1,3-Di(propan-2-yl)pyrazine
CID 135212822
3-methyl-N-[(Z)-3-methylbut-1-enyl]butan-2-imine
CID 141694435

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dimethyl-2-(3-methylbutan-2-ylideneamino)but-1-en-1-amine?
The IUPAC name of (Z)-N,N-dimethyl-2-(3-methylbutan-2-ylideneamino)but-1-en-1-amine (CID 167287449) is (Z)-N,N-dimethyl-2-(3-methylbutan-2-ylideneamino)but-1-en-1-amine.
What is the SMILES notation for (Z)-N,N-dimethyl-2-(3-methylbutan-2-ylideneamino)but-1-en-1-amine?
The canonical SMILES for (Z)-N,N-dimethyl-2-(3-methylbutan-2-ylideneamino)but-1-en-1-amine is CCC(=C/N(C)C)/N=C(\C)C(C)C.
What is the InChIKey of (Z)-N,N-dimethyl-2-(3-methylbutan-2-ylideneamino)but-1-en-1-amine?
The InChIKey is IYWIISINICBDIX-XNGMQHMOSA-N. The full InChI is InChI=1S/C11H22N2/c1-7-11(8-13(5)6)12-10(4)9(2)3/h8-9H,7H2,1-6H3/b11-8-,12-10+.
What are the key properties of (Z)-N,N-dimethyl-2-(3-methylbutan-2-ylideneamino)but-1-en-1-amine?
(Z)-N,N-dimethyl-2-(3-methylbutan-2-ylideneamino)but-1-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethyl-2-(3-methylbutan-2-ylideneamino)but-1-en-1-amine is sourced from PubChem (CID 167287449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).