(Z)-2-N-tert-butyl-7-N-ethylidene-4-N,3-dimethyl-5-methylidenehept-6-ene-2,4,7-triimine

C16H27N3 — CID 123331297

IUPAC(Z)-2-N-tert-butyl-7-N-ethylidene-4-N,3-dimethyl-5-methylidenehept-6-ene-2,4,7-triimine
SMILESC=C(/C=C\N=C\C)/C(=N\C)C(C)/C(C)=N/C(C)(C)C
InChIInChI=1S/C16H27N3/c1-9-18-11-10-12(2)15(17-8)13(3)14(4)19-16(5,6)7/h9-11,13H,2H2,1,3-8H3/b11-10-,17-15+,18-9+,19-14+
InChIKeyIZNSAGMILAXBJE-PKBAKLFDSA-N
MW261.41 g/mol
LogP4.11
Rot. Bonds5

About (Z)-2-N-tert-butyl-7-N-ethylidene-4-N,3-dimethyl-5-methylidenehept-6-ene-2,4,7-triimine

(Z)-2-N-tert-butyl-7-N-ethylidene-4-N,3-dimethyl-5-methylidenehept-6-ene-2,4,7-triimine (PubChem CID 123331297) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is (Z)-2-N-tert-butyl-7-N-ethylidene-4-N,3-dimethyl-5-methylidenehept-6-ene-2,4,7-triimine.

Molecular Properties

Compound Name(Z)-2-N-tert-butyl-7-N-ethylidene-4-N,3-dimethyl-5-methylidenehept-6-ene-2,4,7-triimine
PubChem CID123331297
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name(Z)-2-N-tert-butyl-7-N-ethylidene-4-N,3-dimethyl-5-methylidenehept-6-ene-2,4,7-triimine
SMILESC=C(/C=C\N=C\C)/C(=N\C)C(C)/C(C)=N/C(C)(C)C
InChIInChI=1S/C16H27N3/c1-9-18-11-10-12(2)15(17-8)13(3)14(4)19-16(5,6)7/h9-11,13H,2H2,1,3-8H3/b11-10-,17-15+,18-9+,19-14+
InChIKeyIZNSAGMILAXBJE-PKBAKLFDSA-N
XLogP4.11
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z,7Z)-2,3-di(propan-2-yl)-1,5-diazocine
CID 91866613
4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine
CID 123252466
N-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine
CID 123508740
4-methyl-N-(2-methylprop-1-enyl)hept-1-en-3-imine
CID 129194232
(Z)-N-[(E)-4,5-dimethylhept-1-enyl]-N'-ethylidene-2-methylprop-2-ene-1,3-diimine
CID 132151008
5-methyl-N-[(Z)-prop-1-enyl]hept-1-en-3-imine
CID 132247020
N-[(1Z)-buta-1,3-dienyl]-4-propyldec-1-en-3-imine
CID 134419248
N-[(Z)-4-ethyl-3-methylidenehept-1-enyl]prop-2-en-1-imine
CID 134432230
1-(2,3-dihydropyridin-5-yl)-4-N-ethenyl-1-N,3-dimethylhex-5-ene-1,4-diimine;ethane
CID 143032041
N-[(1Z)-buta-1,3-dienyl]-4-ethylhept-1-en-3-imine
CID 146343227
(4E)-4-[(butan-2-ylideneamino)methylidene]-N-[(1E)-4-cyclopropyl-2-methylpenta-1,4-dienyl]hexa-1,5-dien-3-imine
CID 156099568
ethane;2-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole
CID 161944357

Frequently Asked Questions

What is the IUPAC name of (Z)-2-N-tert-butyl-7-N-ethylidene-4-N,3-dimethyl-5-methylidenehept-6-ene-2,4,7-triimine?
The IUPAC name of (Z)-2-N-tert-butyl-7-N-ethylidene-4-N,3-dimethyl-5-methylidenehept-6-ene-2,4,7-triimine (CID 123331297) is (Z)-2-N-tert-butyl-7-N-ethylidene-4-N,3-dimethyl-5-methylidenehept-6-ene-2,4,7-triimine.
What is the SMILES notation for (Z)-2-N-tert-butyl-7-N-ethylidene-4-N,3-dimethyl-5-methylidenehept-6-ene-2,4,7-triimine?
The canonical SMILES for (Z)-2-N-tert-butyl-7-N-ethylidene-4-N,3-dimethyl-5-methylidenehept-6-ene-2,4,7-triimine is C=C(/C=C\N=C\C)/C(=N\C)C(C)/C(C)=N/C(C)(C)C.
What is the InChIKey of (Z)-2-N-tert-butyl-7-N-ethylidene-4-N,3-dimethyl-5-methylidenehept-6-ene-2,4,7-triimine?
The InChIKey is IZNSAGMILAXBJE-PKBAKLFDSA-N. The full InChI is InChI=1S/C16H27N3/c1-9-18-11-10-12(2)15(17-8)13(3)14(4)19-16(5,6)7/h9-11,13H,2H2,1,3-8H3/b11-10-,17-15+,18-9+,19-14+.
What are the key properties of (Z)-2-N-tert-butyl-7-N-ethylidene-4-N,3-dimethyl-5-methylidenehept-6-ene-2,4,7-triimine?
(Z)-2-N-tert-butyl-7-N-ethylidene-4-N,3-dimethyl-5-methylidenehept-6-ene-2,4,7-triimine has a molecular weight of 261.41 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N-tert-butyl-7-N-ethylidene-4-N,3-dimethyl-5-methylidenehept-6-ene-2,4,7-triimine is sourced from PubChem (CID 123331297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).