(Z)-2-(2,2,4-trimethylhexan-3-ylideneamino)ethenamine

C11H22N2 — CID 155223143

IUPAC(Z)-2-(2,2,4-trimethylhexan-3-ylideneamino)ethenamine
SMILESCCC(C)/C(=N\C=C/N)C(C)(C)C
InChIInChI=1S/C11H22N2/c1-6-9(2)10(11(3,4)5)13-8-7-12/h7-9H,6,12H2,1-5H3/b8-7-,13-10+
InChIKeyQHCMJBACPAZWBS-BRSIODNASA-N
MW182.31 g/mol
LogP2.95
Rot. Bonds3

About (Z)-2-(2,2,4-trimethylhexan-3-ylideneamino)ethenamine

(Z)-2-(2,2,4-trimethylhexan-3-ylideneamino)ethenamine (PubChem CID 155223143) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (Z)-2-(2,2,4-trimethylhexan-3-ylideneamino)ethenamine.

Molecular Properties

Compound Name(Z)-2-(2,2,4-trimethylhexan-3-ylideneamino)ethenamine
PubChem CID155223143
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(Z)-2-(2,2,4-trimethylhexan-3-ylideneamino)ethenamine
SMILESCCC(C)/C(=N\C=C/N)C(C)(C)C
InChIInChI=1S/C11H22N2/c1-6-9(2)10(11(3,4)5)13-8-7-12/h7-9H,6,12H2,1-5H3/b8-7-,13-10+
InChIKeyQHCMJBACPAZWBS-BRSIODNASA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-2-(2,2,4-trimethylhexan-3-ylideneamino)ethenamine?
The IUPAC name of (Z)-2-(2,2,4-trimethylhexan-3-ylideneamino)ethenamine (CID 155223143) is (Z)-2-(2,2,4-trimethylhexan-3-ylideneamino)ethenamine.
What is the SMILES notation for (Z)-2-(2,2,4-trimethylhexan-3-ylideneamino)ethenamine?
The canonical SMILES for (Z)-2-(2,2,4-trimethylhexan-3-ylideneamino)ethenamine is CCC(C)/C(=N\C=C/N)C(C)(C)C.
What is the InChIKey of (Z)-2-(2,2,4-trimethylhexan-3-ylideneamino)ethenamine?
The InChIKey is QHCMJBACPAZWBS-BRSIODNASA-N. The full InChI is InChI=1S/C11H22N2/c1-6-9(2)10(11(3,4)5)13-8-7-12/h7-9H,6,12H2,1-5H3/b8-7-,13-10+.
What are the key properties of (Z)-2-(2,2,4-trimethylhexan-3-ylideneamino)ethenamine?
(Z)-2-(2,2,4-trimethylhexan-3-ylideneamino)ethenamine has a molecular weight of 182.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,2,4-trimethylhexan-3-ylideneamino)ethenamine is sourced from PubChem (CID 155223143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).