N-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine

C17H25N3 — CID 102915720

IUPACN-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine
SMILESCNCc1ccc2c(ccn2CCCN2CCCC2)c1
InChIInChI=1S/C17H25N3/c1-18-14-15-5-6-17-16(13-15)7-12-20(17)11-4-10-19-8-2-3-9-19/h5-7,12-13,18H,2-4,8-11,14H2,1H3
InChIKeyYVRZLYGWBZHQSL-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.85
Rot. Bonds6

About N-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine

N-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine (PubChem CID 102915720) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine
PubChem CID102915720
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine
SMILESCNCc1ccc2c(ccn2CCCN2CCCC2)c1
InChIInChI=1S/C17H25N3/c1-18-14-15-5-6-17-16(13-15)7-12-20(17)11-4-10-19-8-2-3-9-19/h5-7,12-13,18H,2-4,8-11,14H2,1H3
InChIKeyYVRZLYGWBZHQSL-UHFFFAOYSA-N
XLogP2.85
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine
CID 65178006
1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine
CID 102915693
2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile
CID 102915726
1-(1-hept-6-enylindol-5-yl)-N-methylmethanamine
CID 107010388
1-[1-(2-tert-butylsulfonylethyl)indol-5-yl]-N-methylmethanamine
CID 106717836
N-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine
CID 114532036
3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
CID 102915831
1-[1-[(3,4-difluorophenyl)methyl]indol-5-yl]-N-methylmethanamine
CID 82926335
5-nitro-1-(2-pyrrolidin-1-ylethyl)indole
CID 11402695
1-ethyl-5-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170863995
1-[1-[(2,3-dichlorophenyl)methyl]indol-5-yl]-N-methylmethanamine
CID 107307311
N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]indol-5-yl]methanamine
CID 107045620

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine (CID 102915720) is N-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine is CNCc1ccc2c(ccn2CCCN2CCCC2)c1.
What is the InChIKey of N-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine?
The InChIKey is YVRZLYGWBZHQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-18-14-15-5-6-17-16(13-15)7-12-20(17)11-4-10-19-8-2-3-9-19/h5-7,12-13,18H,2-4,8-11,14H2,1H3.
What are the key properties of N-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine?
N-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine has a molecular weight of 271.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine is sourced from PubChem (CID 102915720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).