N-(7-ethylcyclohepta-1,3,6-trien-1-yl)ethanimine

C11H15N — CID 178128673

IUPACN-(7-ethylcyclohepta-1,3,6-trien-1-yl)ethanimine
SMILESC/C=N/C1=CC=CCC=C1CC
InChIInChI=1S/C11H15N/c1-3-10-8-6-5-7-9-11(10)12-4-2/h4-5,7-9H,3,6H2,1-2H3/b12-4+
InChIKeyZSICCXNISCBXLQ-UUILKARUSA-N
MW161.25 g/mol
LogP3.26
Rot. Bonds2

About N-(7-ethylcyclohepta-1,3,6-trien-1-yl)ethanimine

N-(7-ethylcyclohepta-1,3,6-trien-1-yl)ethanimine (PubChem CID 178128673) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-(7-ethylcyclohepta-1,3,6-trien-1-yl)ethanimine.

Molecular Properties

Compound NameN-(7-ethylcyclohepta-1,3,6-trien-1-yl)ethanimine
PubChem CID178128673
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-(7-ethylcyclohepta-1,3,6-trien-1-yl)ethanimine
SMILESC/C=N/C1=CC=CCC=C1CC
InChIInChI=1S/C11H15N/c1-3-10-8-6-5-7-9-11(10)12-4-2/h4-5,7-9H,3,6H2,1-2H3/b12-4+
InChIKeyZSICCXNISCBXLQ-UUILKARUSA-N
XLogP3.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2-propylcyclohepta-1,3,5-triene
CID 143180914
7-ethyl-N,N-dimethylcyclohepta-1,4,6-trien-1-amine
CID 162765206
N-cyclopenta-1,4-dien-1-ylethanimine
CID 123152583
3-ethyl-2-(propylideneamino)cyclohepta-1,3,5-trien-1-ol
CID 166990528
N-[5-(ethylideneamino)-6-methyl-3-pyridinyl]-4-(1-phenylethyl)-6,7-dihydrophthalazin-1-amine;2-ethyl-3-methylcyclohepta-1,3,5-triene
CID 143961149
(Z)-N-[7-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]but-2-en-1-imine
CID 144983883
4-(7-methylcyclohepta-1,4,6-trien-1-yl)butan-2-amine
CID 123251097
ethane;(Z)-N-[7-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]but-2-en-1-imine
CID 144983882
dichlorotitanium;2,3-diethylcyclopenta-1,3-diene
CID 174352745
1-(7-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanamine
CID 142050488
N-[(1E,4Z)-2,6-diethylcycloocta-1,4,6-trien-1-yl]ethanimine;ethane
CID 143345765
1-ethylcyclopenta-1,3-diene
CID 528166

Frequently Asked Questions

What is the IUPAC name of N-(7-ethylcyclohepta-1,3,6-trien-1-yl)ethanimine?
The IUPAC name of N-(7-ethylcyclohepta-1,3,6-trien-1-yl)ethanimine (CID 178128673) is N-(7-ethylcyclohepta-1,3,6-trien-1-yl)ethanimine.
What is the SMILES notation for N-(7-ethylcyclohepta-1,3,6-trien-1-yl)ethanimine?
The canonical SMILES for N-(7-ethylcyclohepta-1,3,6-trien-1-yl)ethanimine is C/C=N/C1=CC=CCC=C1CC.
What is the InChIKey of N-(7-ethylcyclohepta-1,3,6-trien-1-yl)ethanimine?
The InChIKey is ZSICCXNISCBXLQ-UUILKARUSA-N. The full InChI is InChI=1S/C11H15N/c1-3-10-8-6-5-7-9-11(10)12-4-2/h4-5,7-9H,3,6H2,1-2H3/b12-4+.
What are the key properties of N-(7-ethylcyclohepta-1,3,6-trien-1-yl)ethanimine?
N-(7-ethylcyclohepta-1,3,6-trien-1-yl)ethanimine has a molecular weight of 161.25 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-ethylcyclohepta-1,3,6-trien-1-yl)ethanimine is sourced from PubChem (CID 178128673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).