(2Z,5Z)-3-tert-butyl-N,9,9-trimethyldeca-2,5-dien-4-imine

C17H31N — CID 130272070

IUPAC(2Z,5Z)-3-tert-butyl-N,9,9-trimethyldeca-2,5-dien-4-imine
SMILESC/C=C(C(\C=C/CCC(C)(C)C)=N\C)/C(C)(C)C
InChIInChI=1S/C17H31N/c1-9-14(17(5,6)7)15(18-8)12-10-11-13-16(2,3)4/h9-10,12H,11,13H2,1-8H3/b12-10-,14-9+,18-15+
InChIKeyIUNJHTGZNQDQLQ-QKFLSIHUSA-N
MW249.44 g/mol
LogP5.43
Rot. Bonds4

About (2Z,5Z)-3-tert-butyl-N,9,9-trimethyldeca-2,5-dien-4-imine

(2Z,5Z)-3-tert-butyl-N,9,9-trimethyldeca-2,5-dien-4-imine (PubChem CID 130272070) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is (2Z,5Z)-3-tert-butyl-N,9,9-trimethyldeca-2,5-dien-4-imine.

Molecular Properties

Compound Name(2Z,5Z)-3-tert-butyl-N,9,9-trimethyldeca-2,5-dien-4-imine
PubChem CID130272070
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name(2Z,5Z)-3-tert-butyl-N,9,9-trimethyldeca-2,5-dien-4-imine
SMILESC/C=C(C(\C=C/CCC(C)(C)C)=N\C)/C(C)(C)C
InChIInChI=1S/C17H31N/c1-9-14(17(5,6)7)15(18-8)12-10-11-13-16(2,3)4/h9-10,12H,11,13H2,1-8H3/b12-10-,14-9+,18-15+
InChIKeyIUNJHTGZNQDQLQ-QKFLSIHUSA-N
XLogP5.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.43
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 (2Z,5Z)-3-tert-butyl-N,9,9-trimethyldeca-2,5-dien-4-imine?
The IUPAC name of (2Z,5Z)-3-tert-butyl-N,9,9-trimethyldeca-2,5-dien-4-imine (CID 130272070) is (2Z,5Z)-3-tert-butyl-N,9,9-trimethyldeca-2,5-dien-4-imine.
What is the SMILES notation for (2Z,5Z)-3-tert-butyl-N,9,9-trimethyldeca-2,5-dien-4-imine?
The canonical SMILES for (2Z,5Z)-3-tert-butyl-N,9,9-trimethyldeca-2,5-dien-4-imine is C/C=C(C(\C=C/CCC(C)(C)C)=N\C)/C(C)(C)C.
What is the InChIKey of (2Z,5Z)-3-tert-butyl-N,9,9-trimethyldeca-2,5-dien-4-imine?
The InChIKey is IUNJHTGZNQDQLQ-QKFLSIHUSA-N. The full InChI is InChI=1S/C17H31N/c1-9-14(17(5,6)7)15(18-8)12-10-11-13-16(2,3)4/h9-10,12H,11,13H2,1-8H3/b12-10-,14-9+,18-15+.
What are the key properties of (2Z,5Z)-3-tert-butyl-N,9,9-trimethyldeca-2,5-dien-4-imine?
(2Z,5Z)-3-tert-butyl-N,9,9-trimethyldeca-2,5-dien-4-imine has a molecular weight of 249.44 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-3-tert-butyl-N,9,9-trimethyldeca-2,5-dien-4-imine is sourced from PubChem (CID 130272070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).