(Z)-N,2-dimethylbut-2-en-1-imine;2-methylpentane

C12H25N — CID 168999087

IUPAC(Z)-N,2-dimethylbut-2-en-1-imine;2-methylpentane
SMILESC/C=C(C)\C=N\C.CCCC(C)C
InChIInChI=1S/C6H11N.C6H14/c1-4-6(2)5-7-3;1-4-5-6(2)3/h4-5H,1-3H3;6H,4-5H2,1-3H3/b6-4-,7-5+;
InChIKeyVZENBSZYNQXZCI-ZMVRXXEHSA-N
MW183.34 g/mol
LogP4.10
Rot. Bonds3

About (Z)-N,2-dimethylbut-2-en-1-imine;2-methylpentane

(Z)-N,2-dimethylbut-2-en-1-imine;2-methylpentane (PubChem CID 168999087) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (Z)-N,2-dimethylbut-2-en-1-imine;2-methylpentane.

Molecular Properties

Compound Name(Z)-N,2-dimethylbut-2-en-1-imine;2-methylpentane
PubChem CID168999087
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(Z)-N,2-dimethylbut-2-en-1-imine;2-methylpentane
SMILESC/C=C(C)\C=N\C.CCCC(C)C
InChIInChI=1S/C6H11N.C6H14/c1-4-6(2)5-7-3;1-4-5-6(2)3/h4-5H,1-3H3;6H,4-5H2,1-3H3/b6-4-,7-5+;
InChIKeyVZENBSZYNQXZCI-ZMVRXXEHSA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,2-dimethylbut-2-en-1-imine;2-methylpentane?
The IUPAC name of (Z)-N,2-dimethylbut-2-en-1-imine;2-methylpentane (CID 168999087) is (Z)-N,2-dimethylbut-2-en-1-imine;2-methylpentane.
What is the SMILES notation for (Z)-N,2-dimethylbut-2-en-1-imine;2-methylpentane?
The canonical SMILES for (Z)-N,2-dimethylbut-2-en-1-imine;2-methylpentane is C/C=C(C)\C=N\C.CCCC(C)C.
What is the InChIKey of (Z)-N,2-dimethylbut-2-en-1-imine;2-methylpentane?
The InChIKey is VZENBSZYNQXZCI-ZMVRXXEHSA-N. The full InChI is InChI=1S/C6H11N.C6H14/c1-4-6(2)5-7-3;1-4-5-6(2)3/h4-5H,1-3H3;6H,4-5H2,1-3H3/b6-4-,7-5+;.
What are the key properties of (Z)-N,2-dimethylbut-2-en-1-imine;2-methylpentane?
(Z)-N,2-dimethylbut-2-en-1-imine;2-methylpentane has a molecular weight of 183.34 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,2-dimethylbut-2-en-1-imine;2-methylpentane is sourced from PubChem (CID 168999087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).