3-[(propan-2-ylamino)methyl]-1H-indol-6-amine

C12H17N3 — CID 117178576

IUPAC3-[(propan-2-ylamino)methyl]-1H-indol-6-amine
SMILESCC(C)NCc1c[nH]c2cc(N)ccc12
InChIInChI=1S/C12H17N3/c1-8(2)14-6-9-7-15-12-5-10(13)3-4-11(9)12/h3-5,7-8,14-15H,6,13H2,1-2H3
InChIKeyPLZQCTPRWLCKSK-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.25
Rot. Bonds3

About 3-[(propan-2-ylamino)methyl]-1H-indol-6-amine

3-[(propan-2-ylamino)methyl]-1H-indol-6-amine (PubChem CID 117178576) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-[(propan-2-ylamino)methyl]-1H-indol-6-amine.

Molecular Properties

Compound Name3-[(propan-2-ylamino)methyl]-1H-indol-6-amine
PubChem CID117178576
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-[(propan-2-ylamino)methyl]-1H-indol-6-amine
SMILESCC(C)NCc1c[nH]c2cc(N)ccc12
InChIInChI=1S/C12H17N3/c1-8(2)14-6-9-7-15-12-5-10(13)3-4-11(9)12/h3-5,7-8,14-15H,6,13H2,1-2H3
InChIKeyPLZQCTPRWLCKSK-UHFFFAOYSA-N
XLogP2.25
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(propan-2-ylamino)methyl]-1H-indole-6-carboxylic acid
CID 117178714
2-(6-amino-1H-indol-3-yl)-N-methylacetamide
CID 155392040
3-ethyl-1H-indol-6-amine;N-methylformamide
CID 155742399
N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine
CID 83776084
3-propan-2-yl-1H-indol-6-amine
CID 45117013
N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82493176
2-acetamido-3-(6-amino-1H-indol-3-yl)propanoic acid
CID 166609016
3-[(propan-2-ylamino)methyl]-1H-indol-4-ol
CID 117171455
N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine
CID 78968571
N-methyl-1-(6-methyl-1H-indol-3-yl)methanamine
CID 68579797
[3-(methylaminomethyl)-1H-indol-6-yl]methanamine
CID 117178238
(2R)-N-(1H-indol-3-ylmethyl)butan-2-amine
CID 92864086

Frequently Asked Questions

What is the IUPAC name of 3-[(propan-2-ylamino)methyl]-1H-indol-6-amine?
The IUPAC name of 3-[(propan-2-ylamino)methyl]-1H-indol-6-amine (CID 117178576) is 3-[(propan-2-ylamino)methyl]-1H-indol-6-amine.
What is the SMILES notation for 3-[(propan-2-ylamino)methyl]-1H-indol-6-amine?
The canonical SMILES for 3-[(propan-2-ylamino)methyl]-1H-indol-6-amine is CC(C)NCc1c[nH]c2cc(N)ccc12.
What is the InChIKey of 3-[(propan-2-ylamino)methyl]-1H-indol-6-amine?
The InChIKey is PLZQCTPRWLCKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-8(2)14-6-9-7-15-12-5-10(13)3-4-11(9)12/h3-5,7-8,14-15H,6,13H2,1-2H3.
What are the key properties of 3-[(propan-2-ylamino)methyl]-1H-indol-6-amine?
3-[(propan-2-ylamino)methyl]-1H-indol-6-amine has a molecular weight of 203.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(propan-2-ylamino)methyl]-1H-indol-6-amine is sourced from PubChem (CID 117178576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).