(Z)-6-N,3,4,9,10-pentamethyl-1-N-(methylideneamino)undec-7-ene-1,6-diimine

C17H31N3 — CID 123432181

IUPAC(Z)-6-N,3,4,9,10-pentamethyl-1-N-(methylideneamino)undec-7-ene-1,6-diimine
SMILESC=N/N=C/CC(C)C(C)CC(/C=C\C(C)C(C)C)=N\C
InChIInChI=1S/C17H31N3/c1-13(2)14(3)8-9-17(18-6)12-16(5)15(4)10-11-20-19-7/h8-9,11,13-16H,7,10,12H2,1-6H3/b9-8-,18-17-,20-11+
InChIKeyAYGFIKSWRLMNIE-IMJXTPBQSA-N
MW277.46 g/mol
LogP4.64
Rot. Bonds9

About (Z)-6-N,3,4,9,10-pentamethyl-1-N-(methylideneamino)undec-7-ene-1,6-diimine

(Z)-6-N,3,4,9,10-pentamethyl-1-N-(methylideneamino)undec-7-ene-1,6-diimine (PubChem CID 123432181) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is (Z)-6-N,3,4,9,10-pentamethyl-1-N-(methylideneamino)undec-7-ene-1,6-diimine.

Molecular Properties

Compound Name(Z)-6-N,3,4,9,10-pentamethyl-1-N-(methylideneamino)undec-7-ene-1,6-diimine
PubChem CID123432181
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name(Z)-6-N,3,4,9,10-pentamethyl-1-N-(methylideneamino)undec-7-ene-1,6-diimine
SMILESC=N/N=C/CC(C)C(C)CC(/C=C\C(C)C(C)C)=N\C
InChIInChI=1S/C17H31N3/c1-13(2)14(3)8-9-17(18-6)12-16(5)15(4)10-11-20-19-7/h8-9,11,13-16H,7,10,12H2,1-6H3/b9-8-,18-17-,20-11+
InChIKeyAYGFIKSWRLMNIE-IMJXTPBQSA-N
XLogP4.64
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-N-ethyl-7-fluoro-5,6-dimethylcyclohept-2-en-1-imine
CID 173683200
2,11-Di(hexan-3-yl)-1-azacyclododeca-4,8,12-triene
CID 56981493
2-(3-Methylbutan-2-yl)-1-azacyclododeca-4,8,12-triene
CID 70531114
(5E,9E)-3-butyl-1-azacyclododeca-1,5,9-triene
CID 70595591
3-Butyl-1-azacyclododeca-1,5,9-triene
CID 70595592
N-ethyl-5,6-dimethylcyclohex-2-en-1-imine
CID 123422569
N-hex-4-en-3-yl-3-propylheptan-1-imine
CID 123456367
N-methyl-4-octan-4-ylcyclohept-2-en-1-imine
CID 123494760
N-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine
CID 123508740
N-(10-ethyl-4,9-dimethyldodec-5-en-2-yl)ethanimine
CID 123523690
(Z)-2,3-dimethyl-1-N-(methylideneamino)hept-5-ene-1,4-diimine
CID 123693521
8-ethyl-N,3,9-trimethyldec-6-en-5-imine
CID 123773450

Frequently Asked Questions

What is the IUPAC name of (Z)-6-N,3,4,9,10-pentamethyl-1-N-(methylideneamino)undec-7-ene-1,6-diimine?
The IUPAC name of (Z)-6-N,3,4,9,10-pentamethyl-1-N-(methylideneamino)undec-7-ene-1,6-diimine (CID 123432181) is (Z)-6-N,3,4,9,10-pentamethyl-1-N-(methylideneamino)undec-7-ene-1,6-diimine.
What is the SMILES notation for (Z)-6-N,3,4,9,10-pentamethyl-1-N-(methylideneamino)undec-7-ene-1,6-diimine?
The canonical SMILES for (Z)-6-N,3,4,9,10-pentamethyl-1-N-(methylideneamino)undec-7-ene-1,6-diimine is C=N/N=C/CC(C)C(C)CC(/C=C\C(C)C(C)C)=N\C.
What is the InChIKey of (Z)-6-N,3,4,9,10-pentamethyl-1-N-(methylideneamino)undec-7-ene-1,6-diimine?
The InChIKey is AYGFIKSWRLMNIE-IMJXTPBQSA-N. The full InChI is InChI=1S/C17H31N3/c1-13(2)14(3)8-9-17(18-6)12-16(5)15(4)10-11-20-19-7/h8-9,11,13-16H,7,10,12H2,1-6H3/b9-8-,18-17-,20-11+.
What are the key properties of (Z)-6-N,3,4,9,10-pentamethyl-1-N-(methylideneamino)undec-7-ene-1,6-diimine?
(Z)-6-N,3,4,9,10-pentamethyl-1-N-(methylideneamino)undec-7-ene-1,6-diimine has a molecular weight of 277.46 g/mol, XLogP of 4.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-N,3,4,9,10-pentamethyl-1-N-(methylideneamino)undec-7-ene-1,6-diimine is sourced from PubChem (CID 123432181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).