N-(1H-indol-6-ylmethyl)-2-pyridin-3-ylethanamine

C16H17N3 — CID 102909982

IUPACN-(1H-indol-6-ylmethyl)-2-pyridin-3-ylethanamine
SMILESc1cncc(CCNCc2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C16H17N3/c1-2-13(11-17-7-1)5-8-18-12-14-3-4-15-6-9-19-16(15)10-14/h1-4,6-7,9-11,18-19H,5,8,12H2
InChIKeyDOMMOQZZWOGWLH-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.90
Rot. Bonds5

About N-(1H-indol-6-ylmethyl)-2-pyridin-3-ylethanamine

N-(1H-indol-6-ylmethyl)-2-pyridin-3-ylethanamine (PubChem CID 102909982) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(1H-indol-6-ylmethyl)-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-(1H-indol-6-ylmethyl)-2-pyridin-3-ylethanamine
PubChem CID102909982
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN-(1H-indol-6-ylmethyl)-2-pyridin-3-ylethanamine
SMILESc1cncc(CCNCc2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C16H17N3/c1-2-13(11-17-7-1)5-8-18-12-14-3-4-15-6-9-19-16(15)10-14/h1-4,6-7,9-11,18-19H,5,8,12H2
InChIKeyDOMMOQZZWOGWLH-UHFFFAOYSA-N
XLogP2.90
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.90
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

2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 53274413
N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 53274315
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
N-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine
CID 105378350
4-[(2-pyridin-3-ylethylamino)methyl]aniline
CID 115212558
N-(1H-indol-6-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 102911084
N-(1H-indol-6-ylmethyl)butan-1-amine
CID 63749151
N-(1H-indol-6-ylmethyl)-2-phenylsulfanylethanamine
CID 102910230
2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 106168823
4-[2-(pyridin-3-ylmethylamino)ethyl]aniline
CID 82257248
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
4-[(2-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62215588

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-ylmethyl)-2-pyridin-3-ylethanamine?
The IUPAC name of N-(1H-indol-6-ylmethyl)-2-pyridin-3-ylethanamine (CID 102909982) is N-(1H-indol-6-ylmethyl)-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-(1H-indol-6-ylmethyl)-2-pyridin-3-ylethanamine?
The canonical SMILES for N-(1H-indol-6-ylmethyl)-2-pyridin-3-ylethanamine is c1cncc(CCNCc2ccc3cc[nH]c3c2)c1.
What is the InChIKey of N-(1H-indol-6-ylmethyl)-2-pyridin-3-ylethanamine?
The InChIKey is DOMMOQZZWOGWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-13(11-17-7-1)5-8-18-12-14-3-4-15-6-9-19-16(15)10-14/h1-4,6-7,9-11,18-19H,5,8,12H2.
What are the key properties of N-(1H-indol-6-ylmethyl)-2-pyridin-3-ylethanamine?
N-(1H-indol-6-ylmethyl)-2-pyridin-3-ylethanamine has a molecular weight of 251.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-ylmethyl)-2-pyridin-3-ylethanamine is sourced from PubChem (CID 102909982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).