1-cyclohepta-1,3,5-trien-1-yl-N-ethylmethanimine

C10H13N — CID 143375200

IUPAC1-cyclohepta-1,3,5-trien-1-yl-N-ethylmethanimine
SMILESCC/N=C/C1=CC=CC=CC1
InChIInChI=1S/C10H13N/c1-2-11-9-10-7-5-3-4-6-8-10/h3-7,9H,2,8H2,1H3/b11-9+
InChIKeyMNAMDUKAYVOASK-PKNBQFBNSA-N
MW147.22 g/mol
LogP2.52
Rot. Bonds2

About 1-cyclohepta-1,3,5-trien-1-yl-N-ethylmethanimine

1-cyclohepta-1,3,5-trien-1-yl-N-ethylmethanimine (PubChem CID 143375200) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-cyclohepta-1,3,5-trien-1-yl-N-ethylmethanimine.

Molecular Properties

Compound Name1-cyclohepta-1,3,5-trien-1-yl-N-ethylmethanimine
PubChem CID143375200
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name1-cyclohepta-1,3,5-trien-1-yl-N-ethylmethanimine
SMILESCC/N=C/C1=CC=CC=CC1
InChIInChI=1S/C10H13N/c1-2-11-9-10-7-5-3-4-6-8-10/h3-7,9H,2,8H2,1H3/b11-9+
InChIKeyMNAMDUKAYVOASK-PKNBQFBNSA-N
XLogP2.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.52
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

N-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine
CID 163616597
ethane;1-ethylcyclohepta-1,3,5-triene
CID 142143578
1-ethylcyclohepta-1,3,5-triene;methane
CID 145260552
N-ethyl-1-(1H-imidazol-2-yl)methanimine
CID 160847439
1-(4-methylcyclopenta-1,3-dien-1-yl)-N-propylmethanimine
CID 142957690
1-(chloromethyl)cyclohepta-1,3,5-triene
CID 12899029
ethane;1-propoxycyclohepta-1,3,5-triene
CID 142183410
1-cyclohepta-1,3,5-trien-1-yl-N,N-dimethylmethanamine
CID 142160073
ethane;1-[4-(ethyliminomethyl)phenyl]-N-methylmethanimine
CID 142544034
cyclohepta-1,3,5-trien-1-ol;ethane
CID 142842150
1-cyclopenta-1,3-dien-1-yl-N-[4-(diethoxyphosphorylmethyl)phenyl]methanimine
CID 89161116
1-(4-chlorophenyl)-N-ethylmethanimine
CID 12927004

Frequently Asked Questions

What is the IUPAC name of 1-cyclohepta-1,3,5-trien-1-yl-N-ethylmethanimine?
The IUPAC name of 1-cyclohepta-1,3,5-trien-1-yl-N-ethylmethanimine (CID 143375200) is 1-cyclohepta-1,3,5-trien-1-yl-N-ethylmethanimine.
What is the SMILES notation for 1-cyclohepta-1,3,5-trien-1-yl-N-ethylmethanimine?
The canonical SMILES for 1-cyclohepta-1,3,5-trien-1-yl-N-ethylmethanimine is CC/N=C/C1=CC=CC=CC1.
What is the InChIKey of 1-cyclohepta-1,3,5-trien-1-yl-N-ethylmethanimine?
The InChIKey is MNAMDUKAYVOASK-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H13N/c1-2-11-9-10-7-5-3-4-6-8-10/h3-7,9H,2,8H2,1H3/b11-9+.
What are the key properties of 1-cyclohepta-1,3,5-trien-1-yl-N-ethylmethanimine?
1-cyclohepta-1,3,5-trien-1-yl-N-ethylmethanimine has a molecular weight of 147.22 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohepta-1,3,5-trien-1-yl-N-ethylmethanimine is sourced from PubChem (CID 143375200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).