7-ethyl-N,N-dimethylcyclohepta-1,4,6-trien-1-amine

C11H17N — CID 162765206

IUPAC7-ethyl-N,N-dimethylcyclohepta-1,4,6-trien-1-amine
SMILESCCC1=CC=CCC=C1N(C)C
InChIInChI=1S/C11H17N/c1-4-10-8-6-5-7-9-11(10)12(2)3/h5-6,8-9H,4,7H2,1-3H3
InChIKeyGEDYMJMLKZTPQT-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.73
Rot. Bonds2

About 7-ethyl-N,N-dimethylcyclohepta-1,4,6-trien-1-amine

7-ethyl-N,N-dimethylcyclohepta-1,4,6-trien-1-amine (PubChem CID 162765206) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 7-ethyl-N,N-dimethylcyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name7-ethyl-N,N-dimethylcyclohepta-1,4,6-trien-1-amine
PubChem CID162765206
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name7-ethyl-N,N-dimethylcyclohepta-1,4,6-trien-1-amine
SMILESCCC1=CC=CCC=C1N(C)C
InChIInChI=1S/C11H17N/c1-4-10-8-6-5-7-9-11(10)12(2)3/h5-6,8-9H,4,7H2,1-3H3
InChIKeyGEDYMJMLKZTPQT-UHFFFAOYSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-2-propylcyclohepta-1,3,5-triene
CID 143180914
N-(7-ethylcyclohepta-1,3,6-trien-1-yl)ethanimine
CID 178128673
7-[amino(methyl)amino]cyclohepta-1,3,6-trien-1-amine
CID 89146882
1-(7-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanamine
CID 142050488
dichlorotitanium;2,3-diethylcyclopenta-1,3-diene
CID 174352745
4-(7-methylcyclohepta-1,4,6-trien-1-yl)butan-2-amine
CID 123251097
3-ethyl-2-(propylideneamino)cyclohepta-1,3,5-trien-1-ol
CID 166990528
1-ethylcyclopenta-1,3-diene
CID 528166
(1E,3Z)-1-ethylsulfanylcycloocta-1,3,6-triene
CID 166109066
(1Z,3Z,6Z,8Z)-1-ethyl-8-methylcyclodeca-1,3,6,8-tetraene
CID 144855425
CID 87795640
CID 87795640
2,3-diethyl-5-methylcyclohepta-1,3,5-triene
CID 142887028

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N,N-dimethylcyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 7-ethyl-N,N-dimethylcyclohepta-1,4,6-trien-1-amine (CID 162765206) is 7-ethyl-N,N-dimethylcyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 7-ethyl-N,N-dimethylcyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 7-ethyl-N,N-dimethylcyclohepta-1,4,6-trien-1-amine is CCC1=CC=CCC=C1N(C)C.
What is the InChIKey of 7-ethyl-N,N-dimethylcyclohepta-1,4,6-trien-1-amine?
The InChIKey is GEDYMJMLKZTPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-4-10-8-6-5-7-9-11(10)12(2)3/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of 7-ethyl-N,N-dimethylcyclohepta-1,4,6-trien-1-amine?
7-ethyl-N,N-dimethylcyclohepta-1,4,6-trien-1-amine has a molecular weight of 163.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N,N-dimethylcyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 162765206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).