N-[(2Z,5Z,7Z)-3-tert-butyl-10-ethyldodeca-2,5,7-trien-5-yl]methanimine

C19H33N — CID 170202536

IUPACN-[(2Z,5Z,7Z)-3-tert-butyl-10-ethyldodeca-2,5,7-trien-5-yl]methanimine
SMILESC=N/C(=C\C=C/CC(CC)CC)C/C(=C/C)C(C)(C)C
InChIInChI=1S/C19H33N/c1-8-16(9-2)13-11-12-14-18(20-7)15-17(10-3)19(4,5)6/h10-12,14,16H,7-9,13,15H2,1-6H3/b12-11-,17-10-,18-14-
InChIKeyWVGMPAYJBCNGOT-OVLFXDSFSA-N
MW275.48 g/mol
LogP6.34
Rot. Bonds8

About N-[(2Z,5Z,7Z)-3-tert-butyl-10-ethyldodeca-2,5,7-trien-5-yl]methanimine

N-[(2Z,5Z,7Z)-3-tert-butyl-10-ethyldodeca-2,5,7-trien-5-yl]methanimine (PubChem CID 170202536) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N-[(2Z,5Z,7Z)-3-tert-butyl-10-ethyldodeca-2,5,7-trien-5-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,5Z,7Z)-3-tert-butyl-10-ethyldodeca-2,5,7-trien-5-yl]methanimine
PubChem CID170202536
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN-[(2Z,5Z,7Z)-3-tert-butyl-10-ethyldodeca-2,5,7-trien-5-yl]methanimine
SMILESC=N/C(=C\C=C/CC(CC)CC)C/C(=C/C)C(C)(C)C
InChIInChI=1S/C19H33N/c1-8-16(9-2)13-11-12-14-18(20-7)15-17(10-3)19(4,5)6/h10-12,14,16H,7-9,13,15H2,1-6H3/b12-11-,17-10-,18-14-
InChIKeyWVGMPAYJBCNGOT-OVLFXDSFSA-N
XLogP6.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,5Z,7Z)-3-tert-butyl-10-ethyldodeca-2,5,7-trien-5-yl]methanimine?
The IUPAC name of N-[(2Z,5Z,7Z)-3-tert-butyl-10-ethyldodeca-2,5,7-trien-5-yl]methanimine (CID 170202536) is N-[(2Z,5Z,7Z)-3-tert-butyl-10-ethyldodeca-2,5,7-trien-5-yl]methanimine.
What is the SMILES notation for N-[(2Z,5Z,7Z)-3-tert-butyl-10-ethyldodeca-2,5,7-trien-5-yl]methanimine?
The canonical SMILES for N-[(2Z,5Z,7Z)-3-tert-butyl-10-ethyldodeca-2,5,7-trien-5-yl]methanimine is C=N/C(=C\C=C/CC(CC)CC)C/C(=C/C)C(C)(C)C.
What is the InChIKey of N-[(2Z,5Z,7Z)-3-tert-butyl-10-ethyldodeca-2,5,7-trien-5-yl]methanimine?
The InChIKey is WVGMPAYJBCNGOT-OVLFXDSFSA-N. The full InChI is InChI=1S/C19H33N/c1-8-16(9-2)13-11-12-14-18(20-7)15-17(10-3)19(4,5)6/h10-12,14,16H,7-9,13,15H2,1-6H3/b12-11-,17-10-,18-14-.
What are the key properties of N-[(2Z,5Z,7Z)-3-tert-butyl-10-ethyldodeca-2,5,7-trien-5-yl]methanimine?
N-[(2Z,5Z,7Z)-3-tert-butyl-10-ethyldodeca-2,5,7-trien-5-yl]methanimine has a molecular weight of 275.48 g/mol, XLogP of 6.34, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,5Z,7Z)-3-tert-butyl-10-ethyldodeca-2,5,7-trien-5-yl]methanimine is sourced from PubChem (CID 170202536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).