1-(6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)aziridine

C13H17N — CID 138553639

IUPAC1-(6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)aziridine
SMILESCc1ccc2c(c1)CCC(N1CC1)C2
InChIInChI=1S/C13H17N/c1-10-2-3-12-9-13(14-6-7-14)5-4-11(12)8-10/h2-3,8,13H,4-7,9H2,1H3
InChIKeyIMUCRWDBENTJCE-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.17
Rot. Bonds1

About 1-(6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)aziridine

1-(6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)aziridine (PubChem CID 138553639) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-(6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)aziridine.

Molecular Properties

Compound Name1-(6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)aziridine
PubChem CID138553639
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-(6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)aziridine
SMILESCc1ccc2c(c1)CCC(N1CC1)C2
InChIInChI=1S/C13H17N/c1-10-2-3-12-9-13(14-6-7-14)5-4-11(12)8-10/h2-3,8,13H,4-7,9H2,1H3
InChIKeyIMUCRWDBENTJCE-UHFFFAOYSA-N
XLogP2.17
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
CID 84626441
(2S)-2-methyl-1-[(2R)-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
CID 129395466
6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 58916989
3-methyl-7-pyrrolidin-1-yl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 129130456
(3R)-1-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)pyrrolidin-3-ol
CID 90191116
(2-fluoro-4-methylphenyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95708503
6-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-6-azaspiro[3.4]octane
CID 166872891
3-cyclopentyl-9-methyl-2,4,5,6-tetrahydro-1H-3-benzazocine;ethane
CID 143718969
1-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
CID 24754190
(6R)-6-(4-oxopiperidin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 10445028
1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylpyrrolidin-3-amine
CID 115300002
N-ethyl-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 169040576

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)aziridine?
The IUPAC name of 1-(6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)aziridine (CID 138553639) is 1-(6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)aziridine.
What is the SMILES notation for 1-(6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)aziridine?
The canonical SMILES for 1-(6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)aziridine is Cc1ccc2c(c1)CCC(N1CC1)C2.
What is the InChIKey of 1-(6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)aziridine?
The InChIKey is IMUCRWDBENTJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-10-2-3-12-9-13(14-6-7-14)5-4-11(12)8-10/h2-3,8,13H,4-7,9H2,1H3.
What are the key properties of 1-(6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)aziridine?
1-(6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)aziridine has a molecular weight of 187.29 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)aziridine is sourced from PubChem (CID 138553639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).