1-methyl-3-[(propan-2-ylamino)methyl]indol-4-amine

C13H19N3 — CID 117171487

IUPAC1-methyl-3-[(propan-2-ylamino)methyl]indol-4-amine
SMILESCC(C)NCc1cn(C)c2cccc(N)c12
InChIInChI=1S/C13H19N3/c1-9(2)15-7-10-8-16(3)12-6-4-5-11(14)13(10)12/h4-6,8-9,15H,7,14H2,1-3H3
InChIKeyFGFQFZJMTTWEPR-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.26
Rot. Bonds3

About 1-methyl-3-[(propan-2-ylamino)methyl]indol-4-amine

1-methyl-3-[(propan-2-ylamino)methyl]indol-4-amine (PubChem CID 117171487) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-methyl-3-[(propan-2-ylamino)methyl]indol-4-amine.

Molecular Properties

Compound Name1-methyl-3-[(propan-2-ylamino)methyl]indol-4-amine
PubChem CID117171487
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-methyl-3-[(propan-2-ylamino)methyl]indol-4-amine
SMILESCC(C)NCc1cn(C)c2cccc(N)c12
InChIInChI=1S/C13H19N3/c1-9(2)15-7-10-8-16(3)12-6-4-5-11(14)13(10)12/h4-6,8-9,15H,7,14H2,1-3H3
InChIKeyFGFQFZJMTTWEPR-UHFFFAOYSA-N
XLogP2.26
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine
CID 117182558
3-[(2-fluorophenoxy)methyl]-1-methylindol-4-amine
CID 117171279
1,4-dimethylindol-3-amine
CID 89174209
3-(ethylsulfonylmethyl)-1-propan-2-ylindol-4-amine
CID 117171814
1-ethyl-2-[(propan-2-ylamino)methyl]indol-4-amine
CID 117173982
1-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235339
N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158236
(3-ethyl-1-methylindol-4-yl)methanamine
CID 115017614
(1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235981
5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide
CID 82212638
4-fluoro-1-methyl-3-(propan-2-ylsulfonylmethyl)indole
CID 117171230
1-(1,3-dimethylindol-4-yl)-N-methylmethanamine
CID 117204432

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(propan-2-ylamino)methyl]indol-4-amine?
The IUPAC name of 1-methyl-3-[(propan-2-ylamino)methyl]indol-4-amine (CID 117171487) is 1-methyl-3-[(propan-2-ylamino)methyl]indol-4-amine.
What is the SMILES notation for 1-methyl-3-[(propan-2-ylamino)methyl]indol-4-amine?
The canonical SMILES for 1-methyl-3-[(propan-2-ylamino)methyl]indol-4-amine is CC(C)NCc1cn(C)c2cccc(N)c12.
What is the InChIKey of 1-methyl-3-[(propan-2-ylamino)methyl]indol-4-amine?
The InChIKey is FGFQFZJMTTWEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9(2)15-7-10-8-16(3)12-6-4-5-11(14)13(10)12/h4-6,8-9,15H,7,14H2,1-3H3.
What are the key properties of 1-methyl-3-[(propan-2-ylamino)methyl]indol-4-amine?
1-methyl-3-[(propan-2-ylamino)methyl]indol-4-amine has a molecular weight of 217.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(propan-2-ylamino)methyl]indol-4-amine is sourced from PubChem (CID 117171487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).