4-ethyl-7-methyloct-7-en-1-imine

C11H21N — CID 123335226

IUPAC4-ethyl-7-methyloct-7-en-1-imine
SMILES[H]/N=C/CCC(CC)CCC(=C)C
InChIInChI=1S/C11H21N/c1-4-11(6-5-9-12)8-7-10(2)3/h9,11-12H,2,4-8H2,1,3H3/b12-9+
InChIKeyTTXQMKIKNIOJKT-FMIVXFBMSA-N
MW167.30 g/mol
LogP3.80
Rot. Bonds7

About 4-ethyl-7-methyloct-7-en-1-imine

4-ethyl-7-methyloct-7-en-1-imine (PubChem CID 123335226) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 4-ethyl-7-methyloct-7-en-1-imine.

Molecular Properties

Compound Name4-ethyl-7-methyloct-7-en-1-imine
PubChem CID123335226
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name4-ethyl-7-methyloct-7-en-1-imine
SMILES[H]/N=C/CCC(CC)CCC(=C)C
InChIInChI=1S/C11H21N/c1-4-11(6-5-9-12)8-7-10(2)3/h9,11-12H,2,4-8H2,1,3H3/b12-9+
InChIKeyTTXQMKIKNIOJKT-FMIVXFBMSA-N
XLogP3.80
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(Difluoromethylidene)-2-propylhexan-1-imine
CID 126637145
2-Prop-1-en-2-yl-4-(trifluoromethyl)hexan-1-imine
CID 166735022
2-(3,5-Dimethylcyclohex-3-en-1-yl)ethanimine
CID 89244763
(2R)-2,4-dimethyl-3-methylideneheptan-1-imine
CID 89244769
(Z)-4-methyl-2-propylhex-4-en-1-imine
CID 89697919
5,6-Dimethylhept-6-en-1-imine
CID 91525775
[4-(4,8-Dimethylnona-3,7-dienyl)cyclohex-3-en-1-yl]methanimine
CID 123155194
4-Methylideneheptan-1-imine
CID 123245757
(3Z)-3-(2-ethylcyclohexylidene)propan-1-imine
CID 123302090
3,5-Dimethyl-2-methylidenehexan-1-imine
CID 123392141
2-Ethyldec-7-en-1-imine
CID 123446420
2-Propylpent-4-en-1-imine
CID 123447448

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-methyloct-7-en-1-imine?
The IUPAC name of 4-ethyl-7-methyloct-7-en-1-imine (CID 123335226) is 4-ethyl-7-methyloct-7-en-1-imine.
What is the SMILES notation for 4-ethyl-7-methyloct-7-en-1-imine?
The canonical SMILES for 4-ethyl-7-methyloct-7-en-1-imine is [H]/N=C/CCC(CC)CCC(=C)C.
What is the InChIKey of 4-ethyl-7-methyloct-7-en-1-imine?
The InChIKey is TTXQMKIKNIOJKT-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H21N/c1-4-11(6-5-9-12)8-7-10(2)3/h9,11-12H,2,4-8H2,1,3H3/b12-9+.
What are the key properties of 4-ethyl-7-methyloct-7-en-1-imine?
4-ethyl-7-methyloct-7-en-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-methyloct-7-en-1-imine is sourced from PubChem (CID 123335226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).