6-(cyclopenten-1-yl)-6-methylcyclohepta-1,3-dien-1-amine

C13H19N — CID 163961063

IUPAC6-(cyclopenten-1-yl)-6-methylcyclohepta-1,3-dien-1-amine
SMILESCC1(C2=CCCC2)CC=CC=C(N)C1
InChIInChI=1S/C13H19N/c1-13(11-6-2-3-7-11)9-5-4-8-12(14)10-13/h4-6,8H,2-3,7,9-10,14H2,1H3
InChIKeySHMNPQFQTVAHFD-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.30
Rot. Bonds1

About 6-(cyclopenten-1-yl)-6-methylcyclohepta-1,3-dien-1-amine

6-(cyclopenten-1-yl)-6-methylcyclohepta-1,3-dien-1-amine (PubChem CID 163961063) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 6-(cyclopenten-1-yl)-6-methylcyclohepta-1,3-dien-1-amine.

Molecular Properties

Compound Name6-(cyclopenten-1-yl)-6-methylcyclohepta-1,3-dien-1-amine
PubChem CID163961063
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name6-(cyclopenten-1-yl)-6-methylcyclohepta-1,3-dien-1-amine
SMILESCC1(C2=CCCC2)CC=CC=C(N)C1
InChIInChI=1S/C13H19N/c1-13(11-6-2-3-7-11)9-5-4-8-12(14)10-13/h4-6,8H,2-3,7,9-10,14H2,1H3
InChIKeySHMNPQFQTVAHFD-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-cyclopenta-1,3-dien-1-ylcyclohexyl)cycloheptene
CID 101421845
(1E,3Z)-cycloocta-1,3-dien-1-amine
CID 22286865
1-(cyclopenten-1-yl)cyclohexa-2,4-diene-1-carbaldehyde
CID 71358238
1-[1,2-di(cyclopenten-1-yl)-2,3,4-trimethylcyclopent-3-en-1-yl]cyclohexene
CID 141211419
[1-(cyclohexen-1-yl)cyclopent-3-en-1-yl]methanamine
CID 116659353
1-methylcyclopenta-1,3-diene;1-methylcyclopentene;toluene
CID 158476538
(4aR)-4a-methyl-1,3,4,5,6,7-hexahydronaphthalen-2-one
CID 102096032
1-methylcyclopenta-1,3-diene;platinum
CID 158937285
3-(aminomethyl)-3-(cyclohexen-1-yl)cyclobutan-1-one
CID 116659378
11,11-dimethylbicyclo[5.3.1]undec-6-en-2-one
CID 24975296
lithium (4aS)-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-olate
CID 23673942
[2-(cyclopenten-1-yl)-3H-furan-2-yl]methanol
CID 70488488

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopenten-1-yl)-6-methylcyclohepta-1,3-dien-1-amine?
The IUPAC name of 6-(cyclopenten-1-yl)-6-methylcyclohepta-1,3-dien-1-amine (CID 163961063) is 6-(cyclopenten-1-yl)-6-methylcyclohepta-1,3-dien-1-amine.
What is the SMILES notation for 6-(cyclopenten-1-yl)-6-methylcyclohepta-1,3-dien-1-amine?
The canonical SMILES for 6-(cyclopenten-1-yl)-6-methylcyclohepta-1,3-dien-1-amine is CC1(C2=CCCC2)CC=CC=C(N)C1.
What is the InChIKey of 6-(cyclopenten-1-yl)-6-methylcyclohepta-1,3-dien-1-amine?
The InChIKey is SHMNPQFQTVAHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-13(11-6-2-3-7-11)9-5-4-8-12(14)10-13/h4-6,8H,2-3,7,9-10,14H2,1H3.
What are the key properties of 6-(cyclopenten-1-yl)-6-methylcyclohepta-1,3-dien-1-amine?
6-(cyclopenten-1-yl)-6-methylcyclohepta-1,3-dien-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopenten-1-yl)-6-methylcyclohepta-1,3-dien-1-amine is sourced from PubChem (CID 163961063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).