10-methyl-9,10-dihydrobenzo[8]annulen-1-amine

C13H15N — CID 91151311

IUPAC10-methyl-9,10-dihydrobenzo[8]annulen-1-amine
SMILESCC1CC=CC=Cc2cccc(N)c21
InChIInChI=1S/C13H15N/c1-10-6-3-2-4-7-11-8-5-9-12(14)13(10)11/h2-5,7-10H,6,14H2,1H3
InChIKeyUJRZGFWZAGAWHW-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.35
Rot. Bonds

About 10-methyl-9,10-dihydrobenzo[8]annulen-1-amine

10-methyl-9,10-dihydrobenzo[8]annulen-1-amine (PubChem CID 91151311) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 10-methyl-9,10-dihydrobenzo[8]annulen-1-amine.

Molecular Properties

Compound Name10-methyl-9,10-dihydrobenzo[8]annulen-1-amine
PubChem CID91151311
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name10-methyl-9,10-dihydrobenzo[8]annulen-1-amine
SMILESCC1CC=CC=Cc2cccc(N)c21
InChIInChI=1S/C13H15N/c1-10-6-3-2-4-7-11-8-5-9-12(14)13(10)11/h2-5,7-10H,6,14H2,1H3
InChIKeyUJRZGFWZAGAWHW-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-methyl-8,9-dihydrodibenzothiophen-4-amine
CID 129310864
1-methyl-2,3,3a,4-tetrahydro-1H-phenalene
CID 173375085
1-[4-[3-[4-[(5Z,7E)-10-methyl-9,10-dihydrobenzo[8]annulen-3-yl]phenyl]phenyl]phenyl]pyrene
CID 143388595
5-methyl-5,6-dihydronaphthalen-2-amine
CID 139515733
4-methyl-3,4,5,6-tetrahydrophenanthrene
CID 123289804
10-methylbicyclo[4.3.1]deca-1(10),2,4,6,8-pentaene
CID 163536281
4-methyl-10-phenyl-3,4-dihydroanthracen-9-amine
CID 166956954
(7R)-7-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-amine
CID 125469550
(6S)-6-methyl-6,7-dihydrobenzo[7]annulen-5-one
CID 130653450
3-methyl-2-(4-methylcyclohexyl)aniline
CID 125449490
4,7-dimethyl-3,4-dihydrophenanthrene
CID 123770544
(8-methyl-1-naphthalen-1-yl-7,8-dihydronaphthalen-2-yl)methylphosphane
CID 142046135

Frequently Asked Questions

What is the IUPAC name of 10-methyl-9,10-dihydrobenzo[8]annulen-1-amine?
The IUPAC name of 10-methyl-9,10-dihydrobenzo[8]annulen-1-amine (CID 91151311) is 10-methyl-9,10-dihydrobenzo[8]annulen-1-amine.
What is the SMILES notation for 10-methyl-9,10-dihydrobenzo[8]annulen-1-amine?
The canonical SMILES for 10-methyl-9,10-dihydrobenzo[8]annulen-1-amine is CC1CC=CC=Cc2cccc(N)c21.
What is the InChIKey of 10-methyl-9,10-dihydrobenzo[8]annulen-1-amine?
The InChIKey is UJRZGFWZAGAWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-10-6-3-2-4-7-11-8-5-9-12(14)13(10)11/h2-5,7-10H,6,14H2,1H3.
What are the key properties of 10-methyl-9,10-dihydrobenzo[8]annulen-1-amine?
10-methyl-9,10-dihydrobenzo[8]annulen-1-amine has a molecular weight of 185.27 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-9,10-dihydrobenzo[8]annulen-1-amine is sourced from PubChem (CID 91151311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).