2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrol-1-amine

C16H20N2 — CID 79100583

IUPAC2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrol-1-amine
SMILESCc1ccc(C)n1NC1CCCc2ccccc21
InChIInChI=1S/C16H20N2/c1-12-10-11-13(2)18(12)17-16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,10-11,16-17H,5,7,9H2,1-2H3
InChIKeyWRNNZXIRKXNRMU-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.73
Rot. Bonds2

About 2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrol-1-amine

2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrol-1-amine (PubChem CID 79100583) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrol-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrol-1-amine
PubChem CID79100583
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrol-1-amine
SMILESCc1ccc(C)n1NC1CCCc2ccccc21
InChIInChI=1S/C16H20N2/c1-12-10-11-13(2)18(12)17-16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,10-11,16-17H,5,7,9H2,1-2H3
InChIKeyWRNNZXIRKXNRMU-UHFFFAOYSA-N
XLogP3.73
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 166139472
N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 54507059
2,5-dimethyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrole
CID 94161380
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide
CID 45098245
N-cyclohexyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43080330
2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 62784380
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43079139
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
N-[(1S)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81374280

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrol-1-amine?
The IUPAC name of 2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrol-1-amine (CID 79100583) is 2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrol-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrol-1-amine?
The canonical SMILES for 2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrol-1-amine is Cc1ccc(C)n1NC1CCCc2ccccc21.
What is the InChIKey of 2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrol-1-amine?
The InChIKey is WRNNZXIRKXNRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-10-11-13(2)18(12)17-16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,10-11,16-17H,5,7,9H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrol-1-amine?
2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrol-1-amine has a molecular weight of 240.35 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrol-1-amine is sourced from PubChem (CID 79100583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).