N-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine

C16H23N3 — CID 62999922

IUPACN-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESc1cc(CNCCCN2CCCC2)c2cc[nH]c2c1
InChIInChI=1S/C16H23N3/c1-2-11-19(10-1)12-4-8-17-13-14-5-3-6-16-15(14)7-9-18-16/h3,5-7,9,17-18H,1-2,4,8,10-13H2
InChIKeyZBEYCTXITRFMSM-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.74
Rot. Bonds6

About N-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine

N-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 62999922) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID62999922
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESc1cc(CNCCCN2CCCC2)c2cc[nH]c2c1
InChIInChI=1S/C16H23N3/c1-2-11-19(10-1)12-4-8-17-13-14-5-3-6-16-15(14)7-9-18-16/h3,5-7,9,17-18H,1-2,4,8,10-13H2
InChIKeyZBEYCTXITRFMSM-UHFFFAOYSA-N
XLogP2.74
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indol-4-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 63002106
[1-[4-(1H-indol-4-ylmethylamino)butyl]pyrrolidin-2-yl]methanol
CID 119128688
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
N-[(2,3-dimethylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54941227
N-[3-(1H-indol-4-ylmethylamino)propyl]ethanesulfonamide
CID 119110562
N-[(3-chloro-2-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 107096728
N-[(3-bromo-2-fluorophenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 107951107
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
N-[(2-chloro-3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 112652039
2-fluoro-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 112606300
N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 63378381
3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 66409579

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine (CID 62999922) is N-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine is c1cc(CNCCCN2CCCC2)c2cc[nH]c2c1.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is ZBEYCTXITRFMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-11-19(10-1)12-4-8-17-13-14-5-3-6-16-15(14)7-9-18-16/h3,5-7,9,17-18H,1-2,4,8,10-13H2.
What are the key properties of N-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
N-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 62999922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).