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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Related Compounds

N-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 102909363
4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]benzene-1,2-diol
CID 61208305
N-[(4-methoxy-3-methylphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61206805
3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol
CID 106123504
1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 61208893
N-[(3-nitrophenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61207923
N-(1H-indol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 102911394
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61207553
N-(1H-indol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 102910856
1-(4-ethylcyclohexyl)-N-(1H-indol-6-ylmethyl)methanamine
CID 102910232
N-(1H-indol-6-ylmethyl)-1-(3-methylcyclopentyl)methanamine
CID 107411513
2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide
CID 103764726

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).