(Z)-3-(2,2-dimethylpentan-3-ylimino)but-1-en-1-amine

C11H22N2 — CID 126672270

IUPAC(Z)-3-(2,2-dimethylpentan-3-ylimino)but-1-en-1-amine
SMILESCCC(/N=C(C)/C=C\N)C(C)(C)C
InChIInChI=1S/C11H22N2/c1-6-10(11(3,4)5)13-9(2)7-8-12/h7-8,10H,6,12H2,1-5H3/b8-7-,13-9+
InChIKeyVJYBWRSSQVMNJK-XTYDYKDCSA-N
MW182.31 g/mol
LogP2.74
Rot. Bonds3

About (Z)-3-(2,2-dimethylpentan-3-ylimino)but-1-en-1-amine

(Z)-3-(2,2-dimethylpentan-3-ylimino)but-1-en-1-amine (PubChem CID 126672270) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (Z)-3-(2,2-dimethylpentan-3-ylimino)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(2,2-dimethylpentan-3-ylimino)but-1-en-1-amine
PubChem CID126672270
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(Z)-3-(2,2-dimethylpentan-3-ylimino)but-1-en-1-amine
SMILESCCC(/N=C(C)/C=C\N)C(C)(C)C
InChIInChI=1S/C11H22N2/c1-6-10(11(3,4)5)13-9(2)7-8-12/h7-8,10H,6,12H2,1-5H3/b8-7-,13-9+
InChIKeyVJYBWRSSQVMNJK-XTYDYKDCSA-N
XLogP2.74
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.74
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)-3-pentan-3-yliminobut-1-en-1-amine
CID 126672182
(Z)-3-(2,2-dimethylpentan-3-ylimino)prop-1-en-1-amine
CID 134314093
(Z)-3-butan-2-yliminobut-1-en-1-amine
CID 134526794
(Z)-3-N,5,5-trimethyl-1-N-methylidenehex-1-ene-1,3-diimine
CID 139468551
(Z)-4-methyl-3-propan-2-ylimino-4-propyloct-1-en-1-amine
CID 144798134
(Z)-2-tert-butyl-3-ethenylimino-4,4-dimethylpent-1-en-1-amine
CID 146576892
(Z)-4,4-dimethyl-3-[(Z)-prop-1-enyl]iminopent-1-en-1-amine
CID 155027168
4,4-Dimethyl-3-methyliminopent-1-en-1-amine
CID 157338802
(Z)-2-(4,4-dimethylpent-1-en-3-ylideneamino)-N-methylethenamine
CID 170078873
(Z)-3-ethenylimino-4,4-dimethylpent-1-en-1-amine
CID 170104067
4-(1-Methylcyclopropyl)-3-methyliminobut-1-en-1-amine
CID 173669140
4-Methyl-3-propan-2-yliminopent-1-en-1-amine
CID 173979897

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,2-dimethylpentan-3-ylimino)but-1-en-1-amine?
The IUPAC name of (Z)-3-(2,2-dimethylpentan-3-ylimino)but-1-en-1-amine (CID 126672270) is (Z)-3-(2,2-dimethylpentan-3-ylimino)but-1-en-1-amine.
What is the SMILES notation for (Z)-3-(2,2-dimethylpentan-3-ylimino)but-1-en-1-amine?
The canonical SMILES for (Z)-3-(2,2-dimethylpentan-3-ylimino)but-1-en-1-amine is CCC(/N=C(C)/C=C\N)C(C)(C)C.
What is the InChIKey of (Z)-3-(2,2-dimethylpentan-3-ylimino)but-1-en-1-amine?
The InChIKey is VJYBWRSSQVMNJK-XTYDYKDCSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-10(11(3,4)5)13-9(2)7-8-12/h7-8,10H,6,12H2,1-5H3/b8-7-,13-9+.
What are the key properties of (Z)-3-(2,2-dimethylpentan-3-ylimino)but-1-en-1-amine?
(Z)-3-(2,2-dimethylpentan-3-ylimino)but-1-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,2-dimethylpentan-3-ylimino)but-1-en-1-amine is sourced from PubChem (CID 126672270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).