N-cyclohepta-2,4,6-trien-1-ylcyclohepta-2,4,6-trien-1-amine

C14H15N — CID 86151147

IUPACN-cyclohepta-2,4,6-trien-1-ylcyclohepta-2,4,6-trien-1-amine
SMILESC1=CC=CC(NC2C=CC=CC=C2)C=C1
InChIInChI=1S/C14H15N/c1-2-6-10-13(9-5-1)15-14-11-7-3-4-8-12-14/h1-15H
InChIKeyRVZVCNFDIZSALG-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.68
Rot. Bonds2

About N-cyclohepta-2,4,6-trien-1-ylcyclohepta-2,4,6-trien-1-amine

N-cyclohepta-2,4,6-trien-1-ylcyclohepta-2,4,6-trien-1-amine (PubChem CID 86151147) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is N-cyclohepta-2,4,6-trien-1-ylcyclohepta-2,4,6-trien-1-amine.

Molecular Properties

Compound NameN-cyclohepta-2,4,6-trien-1-ylcyclohepta-2,4,6-trien-1-amine
PubChem CID86151147
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC NameN-cyclohepta-2,4,6-trien-1-ylcyclohepta-2,4,6-trien-1-amine
SMILESC1=CC=CC(NC2C=CC=CC=C2)C=C1
InChIInChI=1S/C14H15N/c1-2-6-10-13(9-5-1)15-14-11-7-3-4-8-12-14/h1-15H
InChIKeyRVZVCNFDIZSALG-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-Cycloheptatriene-1-ethylamine
CID 58094
9-Azabicyclo(4.2.1)nona-2,4,7-triene
CID 138832
N-[(3E)-hexa-3,5-dienyl]cyclopropanamine
CID 55299594
N-ethyl-4-fluorocyclohepta-2,4,6-trien-1-amine
CID 143106689
N-prop-2-enylcyclohexa-2,4-dien-1-amine
CID 12809262
N-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-amine
CID 15267070
N-cyclopenta-2,4-dien-1-ylcyclopenta-2,4-dien-1-amine
CID 15741835
N-methylhepta-2,4-dien-1-amine
CID 54531369
N-methylcyclohepta-2,4,6-trien-1-amine
CID 55287641
Cyclohepta-2,4,6-trien-1-amine
CID 55289330
N-prop-2-enylpent-3-en-2-amine
CID 57273296
N-ethylcyclohexa-2,4-dien-1-amine
CID 58247690

Frequently Asked Questions

What is the IUPAC name of N-cyclohepta-2,4,6-trien-1-ylcyclohepta-2,4,6-trien-1-amine?
The IUPAC name of N-cyclohepta-2,4,6-trien-1-ylcyclohepta-2,4,6-trien-1-amine (CID 86151147) is N-cyclohepta-2,4,6-trien-1-ylcyclohepta-2,4,6-trien-1-amine.
What is the SMILES notation for N-cyclohepta-2,4,6-trien-1-ylcyclohepta-2,4,6-trien-1-amine?
The canonical SMILES for N-cyclohepta-2,4,6-trien-1-ylcyclohepta-2,4,6-trien-1-amine is C1=CC=CC(NC2C=CC=CC=C2)C=C1.
What is the InChIKey of N-cyclohepta-2,4,6-trien-1-ylcyclohepta-2,4,6-trien-1-amine?
The InChIKey is RVZVCNFDIZSALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-2-6-10-13(9-5-1)15-14-11-7-3-4-8-12-14/h1-15H.
What are the key properties of N-cyclohepta-2,4,6-trien-1-ylcyclohepta-2,4,6-trien-1-amine?
N-cyclohepta-2,4,6-trien-1-ylcyclohepta-2,4,6-trien-1-amine has a molecular weight of 197.28 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohepta-2,4,6-trien-1-ylcyclohepta-2,4,6-trien-1-amine is sourced from PubChem (CID 86151147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).