N-methyl-1-(3,5,7-trimethyl-1H-indol-2-yl)methanamine

C13H18N2 — CID 83859630

IUPACN-methyl-1-(3,5,7-trimethyl-1H-indol-2-yl)methanamine
SMILESCNCc1[nH]c2c(C)cc(C)cc2c1C
InChIInChI=1S/C13H18N2/c1-8-5-9(2)13-11(6-8)10(3)12(15-13)7-14-4/h5-6,14-15H,7H2,1-4H3
InChIKeyDSTJVJVXJOBMHS-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.81
Rot. Bonds2

About N-methyl-1-(3,5,7-trimethyl-1H-indol-2-yl)methanamine

N-methyl-1-(3,5,7-trimethyl-1H-indol-2-yl)methanamine (PubChem CID 83859630) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-methyl-1-(3,5,7-trimethyl-1H-indol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3,5,7-trimethyl-1H-indol-2-yl)methanamine
PubChem CID83859630
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-methyl-1-(3,5,7-trimethyl-1H-indol-2-yl)methanamine
SMILESCNCc1[nH]c2c(C)cc(C)cc2c1C
InChIInChI=1S/C13H18N2/c1-8-5-9(2)13-11(6-8)10(3)12(15-13)7-14-4/h5-6,14-15H,7H2,1-4H3
InChIKeyDSTJVJVXJOBMHS-UHFFFAOYSA-N
XLogP2.81
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82490831
4,6,8-trimethyl-1H-quinoline-2-thione
CID 2442311
(5,7-dimethyl-3-propan-2-yl-1H-indol-2-yl)methanamine
CID 84622450
1-(3-bromo-7-methyl-1H-indol-2-yl)-N-methylmethanamine
CID 84634869
2-ethyl-5-fluoro-3,7-dimethyl-1H-indole
CID 65335761
5-bromo-2-ethyl-3,7-dimethyl-1H-indole
CID 84707640
2-ethyl-3,7-dimethyl-1H-indol-5-amine
CID 84661612
1-(4,7-dichloro-3-methyl-1H-indol-2-yl)-N-methylmethanamine
CID 83868253
N-methyl-1-(3,5,7-trimethyl-1-benzothiophen-2-yl)methanamine
CID 81048721
N-methyl-1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanamine
CID 84622421
1-(6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine
CID 84630510
N-methyl-1-(1,3,5,7-tetramethylindol-2-yl)methanamine
CID 83859786

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3,5,7-trimethyl-1H-indol-2-yl)methanamine?
The IUPAC name of N-methyl-1-(3,5,7-trimethyl-1H-indol-2-yl)methanamine (CID 83859630) is N-methyl-1-(3,5,7-trimethyl-1H-indol-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3,5,7-trimethyl-1H-indol-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(3,5,7-trimethyl-1H-indol-2-yl)methanamine is CNCc1[nH]c2c(C)cc(C)cc2c1C.
What is the InChIKey of N-methyl-1-(3,5,7-trimethyl-1H-indol-2-yl)methanamine?
The InChIKey is DSTJVJVXJOBMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-8-5-9(2)13-11(6-8)10(3)12(15-13)7-14-4/h5-6,14-15H,7H2,1-4H3.
What are the key properties of N-methyl-1-(3,5,7-trimethyl-1H-indol-2-yl)methanamine?
N-methyl-1-(3,5,7-trimethyl-1H-indol-2-yl)methanamine has a molecular weight of 202.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3,5,7-trimethyl-1H-indol-2-yl)methanamine is sourced from PubChem (CID 83859630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).