N-butyl-2-methyl-6-methylideneocta-2,7-dien-1-imine

C14H23N — CID 72660192

IUPACN-butyl-2-methyl-6-methylideneocta-2,7-dien-1-imine
SMILESC=CC(=C)CCC=C(C)/C=N/CCCC
InChIInChI=1S/C14H23N/c1-5-7-11-15-12-14(4)10-8-9-13(3)6-2/h6,10,12H,2-3,5,7-9,11H2,1,4H3/b14-10?,15-12+
InChIKeyYTUVNONNDKXIBM-ZTYJJYJNSA-N
MW205.34 g/mol
LogP4.33
Rot. Bonds8

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

N-butyl-2-methyl-6-methylideneocta-2,7-dien-1-imine (PubChem CID 72660192) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-butyl-2-methyl-6-methylideneocta-2,7-dien-1-imine.

Molecular Properties

Compound NameN-butyl-2-methyl-6-methylideneocta-2,7-dien-1-imine
PubChem CID72660192
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-butyl-2-methyl-6-methylideneocta-2,7-dien-1-imine
SMILESC=CC(=C)CCC=C(C)/C=N/CCCC
InChIInChI=1S/C14H23N/c1-5-7-11-15-12-14(4)10-8-9-13(3)6-2/h6,10,12H,2-3,5,7-9,11H2,1,4H3/b14-10?,15-12+
InChIKeyYTUVNONNDKXIBM-ZTYJJYJNSA-N
XLogP4.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.33
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-6-methylideneocta-2,7-dien-1-imine?
The IUPAC name of N-butyl-2-methyl-6-methylideneocta-2,7-dien-1-imine (CID 72660192) is N-butyl-2-methyl-6-methylideneocta-2,7-dien-1-imine.
What is the SMILES notation for N-butyl-2-methyl-6-methylideneocta-2,7-dien-1-imine?
The canonical SMILES for N-butyl-2-methyl-6-methylideneocta-2,7-dien-1-imine is C=CC(=C)CCC=C(C)/C=N/CCCC.
What is the InChIKey of N-butyl-2-methyl-6-methylideneocta-2,7-dien-1-imine?
The InChIKey is YTUVNONNDKXIBM-ZTYJJYJNSA-N. The full InChI is InChI=1S/C14H23N/c1-5-7-11-15-12-14(4)10-8-9-13(3)6-2/h6,10,12H,2-3,5,7-9,11H2,1,4H3/b14-10?,15-12+.
What are the key properties of N-butyl-2-methyl-6-methylideneocta-2,7-dien-1-imine?
N-butyl-2-methyl-6-methylideneocta-2,7-dien-1-imine has a molecular weight of 205.34 g/mol, XLogP of 4.33, 8 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-2,7-dien-1-imine is sourced from PubChem (CID 72660192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).