[4-(5-methylcyclohepta-1,3,6-trien-1-yl)cyclohexa-1,3-dien-1-yl]methanamine

C15H19N — CID 142343064

IUPAC[4-(5-methylcyclohepta-1,3,6-trien-1-yl)cyclohexa-1,3-dien-1-yl]methanamine
SMILESCC1C=CC=C(C2=CC=C(CN)CC2)C=C1
InChIInChI=1S/C15H19N/c1-12-3-2-4-14(8-5-12)15-9-6-13(11-16)7-10-15/h2-6,8-9,12H,7,10-11,16H2,1H3
InChIKeyJPYCZDQFGNMLHT-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.28
Rot. Bonds2

About [4-(5-methylcyclohepta-1,3,6-trien-1-yl)cyclohexa-1,3-dien-1-yl]methanamine

[4-(5-methylcyclohepta-1,3,6-trien-1-yl)cyclohexa-1,3-dien-1-yl]methanamine (PubChem CID 142343064) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is [4-(5-methylcyclohepta-1,3,6-trien-1-yl)cyclohexa-1,3-dien-1-yl]methanamine.

Molecular Properties

Compound Name[4-(5-methylcyclohepta-1,3,6-trien-1-yl)cyclohexa-1,3-dien-1-yl]methanamine
PubChem CID142343064
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name[4-(5-methylcyclohepta-1,3,6-trien-1-yl)cyclohexa-1,3-dien-1-yl]methanamine
SMILESCC1C=CC=C(C2=CC=C(CN)CC2)C=C1
InChIInChI=1S/C15H19N/c1-12-3-2-4-14(8-5-12)15-9-6-13(11-16)7-10-15/h2-6,8-9,12H,7,10-11,16H2,1H3
InChIKeyJPYCZDQFGNMLHT-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-methyl-3-(4-methylphenyl)cyclohepta-1,3,5-triene
CID 142063808
4-(5-methylcyclohepta-1,3,6-trien-1-yl)pyrimidin-2-amine
CID 142190083
4-(aminomethyl)cyclohexa-1,3-dien-1-amine
CID 67968263
(3-methyl-3H-azepin-7-yl)methanamine
CID 144539781
3-(3,4-dimethylphenyl)-7-methylcyclohepta-1,3,5-triene
CID 153344535
ethene;5-methylcyclohepta-1,3,6-trien-1-ol
CID 144507325
2-chloro-1-[5-(5-methylcyclohepta-1,3,6-trien-1-yl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone;ethane
CID 177212327
2-cyclopenta-1,3-dien-1-yl-5-methylcyclopenta-1,3-diene
CID 19888185
N,N,5-trimethylcyclohepta-1,3,6-trien-1-amine
CID 139382136
[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]methanamine
CID 146244829
7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol
CID 145383704
1-methyl-3-(5-methylcyclohepta-1,3,6-trien-1-yl)indole
CID 142928655

Frequently Asked Questions

What is the IUPAC name of [4-(5-methylcyclohepta-1,3,6-trien-1-yl)cyclohexa-1,3-dien-1-yl]methanamine?
The IUPAC name of [4-(5-methylcyclohepta-1,3,6-trien-1-yl)cyclohexa-1,3-dien-1-yl]methanamine (CID 142343064) is [4-(5-methylcyclohepta-1,3,6-trien-1-yl)cyclohexa-1,3-dien-1-yl]methanamine.
What is the SMILES notation for [4-(5-methylcyclohepta-1,3,6-trien-1-yl)cyclohexa-1,3-dien-1-yl]methanamine?
The canonical SMILES for [4-(5-methylcyclohepta-1,3,6-trien-1-yl)cyclohexa-1,3-dien-1-yl]methanamine is CC1C=CC=C(C2=CC=C(CN)CC2)C=C1.
What is the InChIKey of [4-(5-methylcyclohepta-1,3,6-trien-1-yl)cyclohexa-1,3-dien-1-yl]methanamine?
The InChIKey is JPYCZDQFGNMLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-12-3-2-4-14(8-5-12)15-9-6-13(11-16)7-10-15/h2-6,8-9,12H,7,10-11,16H2,1H3.
What are the key properties of [4-(5-methylcyclohepta-1,3,6-trien-1-yl)cyclohexa-1,3-dien-1-yl]methanamine?
[4-(5-methylcyclohepta-1,3,6-trien-1-yl)cyclohexa-1,3-dien-1-yl]methanamine has a molecular weight of 213.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylcyclohepta-1,3,6-trien-1-yl)cyclohexa-1,3-dien-1-yl]methanamine is sourced from PubChem (CID 142343064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).