N,N-dimethyl-2-(4-methylindol-1-yl)cyclobutan-1-amine

C15H20N2 — CID 162388703

IUPACN,N-dimethyl-2-(4-methylindol-1-yl)cyclobutan-1-amine
SMILESCc1cccc2c1ccn2C1CCC1N(C)C
InChIInChI=1S/C15H20N2/c1-11-5-4-6-13-12(11)9-10-17(13)15-8-7-14(15)16(2)3/h4-6,9-10,14-15H,7-8H2,1-3H3
InChIKeyWGYQJZUFICCVNG-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.21
Rot. Bonds2

About N,N-dimethyl-2-(4-methylindol-1-yl)cyclobutan-1-amine

N,N-dimethyl-2-(4-methylindol-1-yl)cyclobutan-1-amine (PubChem CID 162388703) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylindol-1-yl)cyclobutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methylindol-1-yl)cyclobutan-1-amine
PubChem CID162388703
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN,N-dimethyl-2-(4-methylindol-1-yl)cyclobutan-1-amine
SMILESCc1cccc2c1ccn2C1CCC1N(C)C
InChIInChI=1S/C15H20N2/c1-11-5-4-6-13-12(11)9-10-17(13)15-8-7-14(15)16(2)3/h4-6,9-10,14-15H,7-8H2,1-3H3
InChIKeyWGYQJZUFICCVNG-UHFFFAOYSA-N
XLogP3.21
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyindol-1-yl)-N,N-dimethylcyclopropan-1-amine
CID 162389284
2-(7-methoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine
CID 162389252
3-(4-methylindol-1-yl)piperidine-2,6-dione
CID 167418675
2-indol-1-yl-N,N-dimethylcyclopropan-1-amine
CID 166892100
2-(5-cyclobutyloxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine
CID 162389186
1-(2-cyclopentylethyl)-4-methylindole
CID 114192720
4-methyl-1-phenylindole
CID 138964714
2-(5-fluoro-6-methylindol-1-yl)-N,N-dimethylcyclopropan-1-amine
CID 162388833
2-(4,6-dimethylindol-1-yl)cyclohexan-1-ol
CID 118162025
4-methyl-1-(2-piperidin-4-ylethyl)indole
CID 61348096
1-cyclopropyl-3-methylindole;ethane
CID 145207186
(4-methylindol-1-yl)-tri(propan-2-yl)-λ4-sulfane
CID 143901623

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methylindol-1-yl)cyclobutan-1-amine?
The IUPAC name of N,N-dimethyl-2-(4-methylindol-1-yl)cyclobutan-1-amine (CID 162388703) is N,N-dimethyl-2-(4-methylindol-1-yl)cyclobutan-1-amine.
What is the SMILES notation for N,N-dimethyl-2-(4-methylindol-1-yl)cyclobutan-1-amine?
The canonical SMILES for N,N-dimethyl-2-(4-methylindol-1-yl)cyclobutan-1-amine is Cc1cccc2c1ccn2C1CCC1N(C)C.
What is the InChIKey of N,N-dimethyl-2-(4-methylindol-1-yl)cyclobutan-1-amine?
The InChIKey is WGYQJZUFICCVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-5-4-6-13-12(11)9-10-17(13)15-8-7-14(15)16(2)3/h4-6,9-10,14-15H,7-8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(4-methylindol-1-yl)cyclobutan-1-amine?
N,N-dimethyl-2-(4-methylindol-1-yl)cyclobutan-1-amine has a molecular weight of 228.34 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methylindol-1-yl)cyclobutan-1-amine is sourced from PubChem (CID 162388703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).