N-(1H-indol-5-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine

C17H25N3 — CID 102910344

IUPACN-(1H-indol-5-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
SMILESCC(C)N1CCC(CNCc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C17H25N3/c1-13(2)20-8-6-15(12-20)11-18-10-14-3-4-17-16(9-14)5-7-19-17/h3-5,7,9,13,15,18-19H,6,8,10-12H2,1-2H3
InChIKeyALPZMTAVLOKVCG-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.99
Rot. Bonds5

About N-(1H-indol-5-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine

N-(1H-indol-5-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine (PubChem CID 102910344) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
PubChem CID102910344
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-(1H-indol-5-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
SMILESCC(C)N1CCC(CNCc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C17H25N3/c1-13(2)20-8-6-15(12-20)11-18-10-14-3-4-17-16(9-14)5-7-19-17/h3-5,7,9,13,15,18-19H,6,8,10-12H2,1-2H3
InChIKeyALPZMTAVLOKVCG-UHFFFAOYSA-N
XLogP2.99
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-(1H-indol-5-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine (CID 102910344) is N-(1H-indol-5-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine is CC(C)N1CCC(CNCc2ccc3[nH]ccc3c2)C1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The InChIKey is ALPZMTAVLOKVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13(2)20-8-6-15(12-20)11-18-10-14-3-4-17-16(9-14)5-7-19-17/h3-5,7,9,13,15,18-19H,6,8,10-12H2,1-2H3.
What are the key properties of N-(1H-indol-5-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
N-(1H-indol-5-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine has a molecular weight of 271.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 102910344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).