N-hexyl-4-methylhepta-1,6-dien-3-imine

C14H25N — CID 123453605

IUPACN-hexyl-4-methylhepta-1,6-dien-3-imine
SMILESC=CCC(C)/C(C=C)=N/CCCCCC
InChIInChI=1S/C14H25N/c1-5-8-9-10-12-15-14(7-3)13(4)11-6-2/h6-7,13H,2-3,5,8-12H2,1,4H3/b15-14+
InChIKeyNWYMGSBOCHFUHR-CCEZHUSRSA-N
MW207.36 g/mol
LogP4.41
Rot. Bonds9

About N-hexyl-4-methylhepta-1,6-dien-3-imine

N-hexyl-4-methylhepta-1,6-dien-3-imine (PubChem CID 123453605) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-hexyl-4-methylhepta-1,6-dien-3-imine.

Molecular Properties

Compound NameN-hexyl-4-methylhepta-1,6-dien-3-imine
PubChem CID123453605
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-hexyl-4-methylhepta-1,6-dien-3-imine
SMILESC=CCC(C)/C(C=C)=N/CCCCCC
InChIInChI=1S/C14H25N/c1-5-8-9-10-12-15-14(7-3)13(4)11-6-2/h6-7,13H,2-3,5,8-12H2,1,4H3/b15-14+
InChIKeyNWYMGSBOCHFUHR-CCEZHUSRSA-N
XLogP4.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.41
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

4-methyl-N-pentylpent-1-en-3-imine
CID 123625020
nonyl 2-methylpent-4-enoate
CID 91695095
ethyl N'-hexylcarbamimidothioate
CID 154136436
(4R)-dodec-1-en-4-ol
CID 11074077
N-hexadecyl-4-methylpentan-2-imine
CID 102140626
methyl N'-hexylcarbamimidothioate
CID 157360407
2-nonyl-1-propan-2-ylguanidine
CID 111034727
but-1-ene;(2S)-2-methylheptanoic acid;(2S)-2-methylpent-4-enoic acid
CID 161164628
N-(2-methylhexa-1,5-dien-3-yl)heptan-2-amine
CID 23109102
17-prop-2-enyltetratriacontane
CID 173452630
4-prop-2-enylpentadec-1-ene
CID 54427529
N'-hexylpropanimidamide
CID 62048653

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-methylhepta-1,6-dien-3-imine?
The IUPAC name of N-hexyl-4-methylhepta-1,6-dien-3-imine (CID 123453605) is N-hexyl-4-methylhepta-1,6-dien-3-imine.
What is the SMILES notation for N-hexyl-4-methylhepta-1,6-dien-3-imine?
The canonical SMILES for N-hexyl-4-methylhepta-1,6-dien-3-imine is C=CCC(C)/C(C=C)=N/CCCCCC.
What is the InChIKey of N-hexyl-4-methylhepta-1,6-dien-3-imine?
The InChIKey is NWYMGSBOCHFUHR-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H25N/c1-5-8-9-10-12-15-14(7-3)13(4)11-6-2/h6-7,13H,2-3,5,8-12H2,1,4H3/b15-14+.
What are the key properties of N-hexyl-4-methylhepta-1,6-dien-3-imine?
N-hexyl-4-methylhepta-1,6-dien-3-imine has a molecular weight of 207.36 g/mol, XLogP of 4.41, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-methylhepta-1,6-dien-3-imine is sourced from PubChem (CID 123453605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).