(1-methyl-3-propan-2-ylindol-2-yl)methanamine

C13H18N2 — CID 83916240

IUPAC(1-methyl-3-propan-2-ylindol-2-yl)methanamine
SMILESCC(C)c1c(CN)n(C)c2ccccc12
InChIInChI=1S/C13H18N2/c1-9(2)13-10-6-4-5-7-11(10)15(3)12(13)8-14/h4-7,9H,8,14H2,1-3H3
InChIKeyTVRSLDTUQMLYPL-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.76
Rot. Bonds2

About (1-methyl-3-propan-2-ylindol-2-yl)methanamine

(1-methyl-3-propan-2-ylindol-2-yl)methanamine (PubChem CID 83916240) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (1-methyl-3-propan-2-ylindol-2-yl)methanamine.

Molecular Properties

Compound Name(1-methyl-3-propan-2-ylindol-2-yl)methanamine
PubChem CID83916240
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(1-methyl-3-propan-2-ylindol-2-yl)methanamine
SMILESCC(C)c1c(CN)n(C)c2ccccc12
InChIInChI=1S/C13H18N2/c1-9(2)13-10-6-4-5-7-11(10)15(3)12(13)8-14/h4-7,9H,8,14H2,1-3H3
InChIKeyTVRSLDTUQMLYPL-UHFFFAOYSA-N
XLogP2.76
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-methoxy-1-methyl-3-propan-2-ylindol-2-yl)methanamine
CID 84627120
3-butan-2-yl-2-butyl-1-methylindole
CID 134480069
(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
CID 95438701
2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine
CID 82285579
1-(1,2-dimethylindol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82294925
2-(1,2-dimethylindol-3-yl)propanamide
CID 20667705
3-methyl-1,2-di(propan-2-yl)benzo[e]indole
CID 169016375
ethane;bis(9-methylcarbazole)
CID 159710949
2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine
CID 112539162
[2-(aminomethyl)-1-phenylindol-3-yl]-ethoxymethanol
CID 170073255
ethane;9-methylcarbazole;triphenylene
CID 142356751
[1-methyl-2-(2-thiophen-2-ylethyl)indol-3-yl]methanamine
CID 22689319

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-propan-2-ylindol-2-yl)methanamine?
The IUPAC name of (1-methyl-3-propan-2-ylindol-2-yl)methanamine (CID 83916240) is (1-methyl-3-propan-2-ylindol-2-yl)methanamine.
What is the SMILES notation for (1-methyl-3-propan-2-ylindol-2-yl)methanamine?
The canonical SMILES for (1-methyl-3-propan-2-ylindol-2-yl)methanamine is CC(C)c1c(CN)n(C)c2ccccc12.
What is the InChIKey of (1-methyl-3-propan-2-ylindol-2-yl)methanamine?
The InChIKey is TVRSLDTUQMLYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9(2)13-10-6-4-5-7-11(10)15(3)12(13)8-14/h4-7,9H,8,14H2,1-3H3.
What are the key properties of (1-methyl-3-propan-2-ylindol-2-yl)methanamine?
(1-methyl-3-propan-2-ylindol-2-yl)methanamine has a molecular weight of 202.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-propan-2-ylindol-2-yl)methanamine is sourced from PubChem (CID 83916240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).