2-methyl-N-[(5E)-2-methylundeca-5,10-dien-3-yl]prop-2-en-1-imine

C16H27N — CID 5371390

IUPAC2-methyl-N-[(5E)-2-methylundeca-5,10-dien-3-yl]prop-2-en-1-imine
SMILESC=CCCC/C=C/CC(/N=C/C(=C)C)C(C)C
InChIInChI=1S/C16H27N/c1-6-7-8-9-10-11-12-16(15(4)5)17-13-14(2)3/h6,10-11,13,15-16H,1-2,7-9,12H2,3-5H3/b11-10+,17-13+
InChIKeyIAYXEHZIRZLEFF-DWLYSLLYSA-N
MW233.40 g/mol
LogP4.96
Rot. Bonds9

About 2-methyl-N-[(5E)-2-methylundeca-5,10-dien-3-yl]prop-2-en-1-imine

2-methyl-N-[(5E)-2-methylundeca-5,10-dien-3-yl]prop-2-en-1-imine (PubChem CID 5371390) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-methyl-N-[(5E)-2-methylundeca-5,10-dien-3-yl]prop-2-en-1-imine.

Molecular Properties

Compound Name2-methyl-N-[(5E)-2-methylundeca-5,10-dien-3-yl]prop-2-en-1-imine
PubChem CID5371390
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-methyl-N-[(5E)-2-methylundeca-5,10-dien-3-yl]prop-2-en-1-imine
SMILESC=CCCC/C=C/CC(/N=C/C(=C)C)C(C)C
InChIInChI=1S/C16H27N/c1-6-7-8-9-10-11-12-16(15(4)5)17-13-14(2)3/h6,10-11,13,15-16H,1-2,7-9,12H2,3-5H3/b11-10+,17-13+
InChIKeyIAYXEHZIRZLEFF-DWLYSLLYSA-N
XLogP4.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Azacyclododeca-1,5,9-triene, 3,3-dimethyl-12-(1-methylethyl)-
CID 5367662
3,3-Dimethyl-12-isopropyl-1-aza-1,5,9-cyclododecatriene
CID 557512
3,3-Dimethyl-12-isopropylazacyclododeca-1,5,9-triene
CID 6536914
2-Ethyl-3,5-dimethyl-2,3-dihydropyridine
CID 12478339
(4Z,8Z)-2-ethyl-11,11-dimethyl-1-azacyclododeca-4,8,12-triene
CID 20405351
(4Z,8Z)-2-tert-butyl-11-methyl-1-azacyclododeca-4,8,12-triene
CID 20537987
(4E,8E)-2-ethyl-11,11-dimethyl-1-azacyclododeca-4,8,12-triene
CID 22811539
(4E,8E)-2-tert-butyl-11-methyl-1-azacyclododeca-4,8,12-triene
CID 22811545
3,3-Dimethyl-12-ethyl-1-aza-1,5,9-cyclododecatriene
CID 53743254
3-Methyl-12-(3-penten-2-yl)-1-aza-1,5,9-cyclododecatriene
CID 54073519
2-Tert-butyl-11-methyl-1-azacyclododeca-4,8,12-triene
CID 57087163
2-[(E)-2,3-dimethylbut-1-enyl]-2,3-dihydropyridine
CID 59887789

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5E)-2-methylundeca-5,10-dien-3-yl]prop-2-en-1-imine?
The IUPAC name of 2-methyl-N-[(5E)-2-methylundeca-5,10-dien-3-yl]prop-2-en-1-imine (CID 5371390) is 2-methyl-N-[(5E)-2-methylundeca-5,10-dien-3-yl]prop-2-en-1-imine.
What is the SMILES notation for 2-methyl-N-[(5E)-2-methylundeca-5,10-dien-3-yl]prop-2-en-1-imine?
The canonical SMILES for 2-methyl-N-[(5E)-2-methylundeca-5,10-dien-3-yl]prop-2-en-1-imine is C=CCCC/C=C/CC(/N=C/C(=C)C)C(C)C.
What is the InChIKey of 2-methyl-N-[(5E)-2-methylundeca-5,10-dien-3-yl]prop-2-en-1-imine?
The InChIKey is IAYXEHZIRZLEFF-DWLYSLLYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-7-8-9-10-11-12-16(15(4)5)17-13-14(2)3/h6,10-11,13,15-16H,1-2,7-9,12H2,3-5H3/b11-10+,17-13+.
What are the key properties of 2-methyl-N-[(5E)-2-methylundeca-5,10-dien-3-yl]prop-2-en-1-imine?
2-methyl-N-[(5E)-2-methylundeca-5,10-dien-3-yl]prop-2-en-1-imine has a molecular weight of 233.40 g/mol, XLogP of 4.96, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5E)-2-methylundeca-5,10-dien-3-yl]prop-2-en-1-imine is sourced from PubChem (CID 5371390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).