1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)indol-7-amine

C16H23N3 — CID 117184052

IUPAC1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)indol-7-amine
SMILESCC(C)n1c(CN2CCCC2)cc2cccc(N)c21
InChIInChI=1S/C16H23N3/c1-12(2)19-14(11-18-8-3-4-9-18)10-13-6-5-7-15(17)16(13)19/h5-7,10,12H,3-4,8-9,11,17H2,1-2H3
InChIKeyYMUGXCXXHGOZJQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.40
Rot. Bonds3

About 1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)indol-7-amine

1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)indol-7-amine (PubChem CID 117184052) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)indol-7-amine.

Molecular Properties

Compound Name1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)indol-7-amine
PubChem CID117184052
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)indol-7-amine
SMILESCC(C)n1c(CN2CCCC2)cc2cccc(N)c21
InChIInChI=1S/C16H23N3/c1-12(2)19-14(11-18-8-3-4-9-18)10-13-6-5-7-15(17)16(13)19/h5-7,10,12H,3-4,8-9,11,17H2,1-2H3
InChIKeyYMUGXCXXHGOZJQ-UHFFFAOYSA-N
XLogP3.40
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
CID 117186565
7-methyl-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole
CID 117186562
4-[(7-fluoro-1-propan-2-ylindol-2-yl)methyl]morpholine
CID 117184085
5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117177142
[2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine
CID 117177017
2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine
CID 117173772
5-chloro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117177143
4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117184903
5-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 117192935
1-methyl-2-(piperidin-1-ylmethyl)indol-4-amine
CID 117173126
2-(aminomethyl)-1-propan-2-ylindole-7-carboxylic acid
CID 117184356
7-chloro-2-(methylsulfanylmethyl)-1-propan-2-ylindole
CID 117184313

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)indol-7-amine?
The IUPAC name of 1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)indol-7-amine (CID 117184052) is 1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)indol-7-amine.
What is the SMILES notation for 1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)indol-7-amine?
The canonical SMILES for 1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)indol-7-amine is CC(C)n1c(CN2CCCC2)cc2cccc(N)c21.
What is the InChIKey of 1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)indol-7-amine?
The InChIKey is YMUGXCXXHGOZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(2)19-14(11-18-8-3-4-9-18)10-13-6-5-7-15(17)16(13)19/h5-7,10,12H,3-4,8-9,11,17H2,1-2H3.
What are the key properties of 1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)indol-7-amine?
1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)indol-7-amine has a molecular weight of 257.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)indol-7-amine is sourced from PubChem (CID 117184052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).