3-bromo-N-ethylcyclohepta-1,3-dien-1-amine

C9H14BrN — CID 143063418

IUPAC3-bromo-N-ethylcyclohepta-1,3-dien-1-amine
SMILESCCNC1=CC(Br)=CCCC1
InChIInChI=1S/C9H14BrN/c1-2-11-9-6-4-3-5-8(10)7-9/h5,7,11H,2-4,6H2,1H3
InChIKeyITZYGMFAERIODM-UHFFFAOYSA-N
MW216.12 g/mol
LogP2.94
Rot. Bonds2

About 3-bromo-N-ethylcyclohepta-1,3-dien-1-amine

3-bromo-N-ethylcyclohepta-1,3-dien-1-amine (PubChem CID 143063418) has the molecular formula C9H14BrN and a molecular weight of 216.12 g/mol. Its IUPAC name is 3-bromo-N-ethylcyclohepta-1,3-dien-1-amine.

Molecular Properties

Compound Name3-bromo-N-ethylcyclohepta-1,3-dien-1-amine
PubChem CID143063418
Molecular FormulaC9H14BrN
Molecular Weight216.12 g/mol
Exact Mass215.03
IUPAC Name3-bromo-N-ethylcyclohepta-1,3-dien-1-amine
SMILESCCNC1=CC(Br)=CCCC1
InChIInChI=1S/C9H14BrN/c1-2-11-9-6-4-3-5-8(10)7-9/h5,7,11H,2-4,6H2,1H3
InChIKeyITZYGMFAERIODM-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-1-methylcyclohepta-1,3-diene
CID 163730925
N-(cyclopenten-1-yl)ethanesulfonamide
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CID 67709379
N-propan-2-ylcyclopenten-1-amine
CID 57447311
(1E)-N-butylcycloocten-1-amine
CID 89153703
(1E,3Z,5Z)-N-ethylcycloocta-1,3,5-trien-1-amine
CID 67050806
3-bromo-1-propan-2-ylcyclohexa-1,3-diene
CID 22253898
1-(cyclohepten-1-yl)-2-methylhydrazine
CID 19049041
3-bromocyclohexa-1,3-dien-1-ol
CID 90443894
3-(ethylamino)-2H-furan-5-one
CID 14234534
(5E)-4-bromo-2-ethylcyclonona-1,3,5-triene
CID 174091096
2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol
CID 106654928

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethylcyclohepta-1,3-dien-1-amine?
The IUPAC name of 3-bromo-N-ethylcyclohepta-1,3-dien-1-amine (CID 143063418) is 3-bromo-N-ethylcyclohepta-1,3-dien-1-amine.
What is the SMILES notation for 3-bromo-N-ethylcyclohepta-1,3-dien-1-amine?
The canonical SMILES for 3-bromo-N-ethylcyclohepta-1,3-dien-1-amine is CCNC1=CC(Br)=CCCC1.
What is the InChIKey of 3-bromo-N-ethylcyclohepta-1,3-dien-1-amine?
The InChIKey is ITZYGMFAERIODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN/c1-2-11-9-6-4-3-5-8(10)7-9/h5,7,11H,2-4,6H2,1H3.
What are the key properties of 3-bromo-N-ethylcyclohepta-1,3-dien-1-amine?
3-bromo-N-ethylcyclohepta-1,3-dien-1-amine has a molecular weight of 216.12 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethylcyclohepta-1,3-dien-1-amine is sourced from PubChem (CID 143063418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).