N-butyl-2-methyl-6-methylideneocta-2,4,7-trien-1-imine

C14H21N — CID 72660204

IUPACN-butyl-2-methyl-6-methylideneocta-2,4,7-trien-1-imine
SMILESC=CC(=C)C=CC=C(C)/C=N/CCCC
InChIInChI=1S/C14H21N/c1-5-7-11-15-12-14(4)10-8-9-13(3)6-2/h6,8-10,12H,2-3,5,7,11H2,1,4H3/b9-8?,14-10?,15-12+
InChIKeyWXAHQSHNCSWDSO-CKYWWKOHSA-N
MW203.33 g/mol
LogP4.10
Rot. Bonds7

About N-butyl-2-methyl-6-methylideneocta-2,4,7-trien-1-imine

N-butyl-2-methyl-6-methylideneocta-2,4,7-trien-1-imine (PubChem CID 72660204) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-butyl-2-methyl-6-methylideneocta-2,4,7-trien-1-imine.

Molecular Properties

Compound NameN-butyl-2-methyl-6-methylideneocta-2,4,7-trien-1-imine
PubChem CID72660204
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-butyl-2-methyl-6-methylideneocta-2,4,7-trien-1-imine
SMILESC=CC(=C)C=CC=C(C)/C=N/CCCC
InChIInChI=1S/C14H21N/c1-5-7-11-15-12-14(4)10-8-9-13(3)6-2/h6,8-10,12H,2-3,5,7,11H2,1,4H3/b9-8?,14-10?,15-12+
InChIKeyWXAHQSHNCSWDSO-CKYWWKOHSA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.10
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine
CID 142433312
(2E,4E)-N-ethyl-2-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine
CID 146667427
(3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine
CID 155306408
(2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine
CID 163583953
(E,2Z)-2-ethylidene-N-[(Z)-1-fluoro-2-methylbut-1-enyl]-3-methylhept-3-en-1-imine
CID 173807900
N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine
CID 174262416
(E)-N-tert-butyl-2-methylpent-2-en-1-imine
CID 10582977
3,6-ditert-butyl-2H-azepine
CID 14927386
2-methyl-2-pentenal N-allylimine
CID 129747538
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine
CID 143621189

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-6-methylideneocta-2,4,7-trien-1-imine?
The IUPAC name of N-butyl-2-methyl-6-methylideneocta-2,4,7-trien-1-imine (CID 72660204) is N-butyl-2-methyl-6-methylideneocta-2,4,7-trien-1-imine.
What is the SMILES notation for N-butyl-2-methyl-6-methylideneocta-2,4,7-trien-1-imine?
The canonical SMILES for N-butyl-2-methyl-6-methylideneocta-2,4,7-trien-1-imine is C=CC(=C)C=CC=C(C)/C=N/CCCC.
What is the InChIKey of N-butyl-2-methyl-6-methylideneocta-2,4,7-trien-1-imine?
The InChIKey is WXAHQSHNCSWDSO-CKYWWKOHSA-N. The full InChI is InChI=1S/C14H21N/c1-5-7-11-15-12-14(4)10-8-9-13(3)6-2/h6,8-10,12H,2-3,5,7,11H2,1,4H3/b9-8?,14-10?,15-12+.
What are the key properties of N-butyl-2-methyl-6-methylideneocta-2,4,7-trien-1-imine?
N-butyl-2-methyl-6-methylideneocta-2,4,7-trien-1-imine has a molecular weight of 203.33 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-6-methylideneocta-2,4,7-trien-1-imine is sourced from PubChem (CID 72660204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).