2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine

C16H20N2 — CID 106168823

IUPAC2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine
SMILESC1=C(CCNCc2ccc3cc[nH]c3c2)CCC1
InChIInChI=1S/C16H20N2/c1-2-4-13(3-1)7-9-17-12-14-5-6-15-8-10-18-16(15)11-14/h3,5-6,8,10-11,17-18H,1-2,4,7,9,12H2
InChIKeyRBIARWMFRYGRCZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.76
Rot. Bonds5

About 2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine

2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine (PubChem CID 106168823) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine
PubChem CID106168823
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine
SMILESC1=C(CCNCc2ccc3cc[nH]c3c2)CCC1
InChIInChI=1S/C16H20N2/c1-2-4-13(3-1)7-9-17-12-14-5-6-15-8-10-18-16(15)11-14/h3,5-6,8,10-11,17-18H,1-2,4,7,9,12H2
InChIKeyRBIARWMFRYGRCZ-UHFFFAOYSA-N
XLogP3.76
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 106169984
2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 53274315
2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115762870
N-(1H-indol-6-ylmethyl)butan-1-amine
CID 63749151
2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 53274413
2-(cyclohexen-1-yl)-N-[(3-methylphenyl)methyl]ethanamine chloride
CID 19627969
N-(1H-indol-6-ylmethyl)-2-pyridin-3-ylethanamine
CID 102909982
N-(1H-indol-6-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 102911084
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
3-ethenoxy-N-(1H-indol-6-ylmethyl)propan-1-amine
CID 102909372
N-(1H-indol-6-ylmethyl)-2-phenylsulfanylethanamine
CID 102910230

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine?
The IUPAC name of 2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine (CID 106168823) is 2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine.
What is the SMILES notation for 2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine?
The canonical SMILES for 2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine is C1=C(CCNCc2ccc3cc[nH]c3c2)CCC1.
What is the InChIKey of 2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine?
The InChIKey is RBIARWMFRYGRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-4-13(3-1)7-9-17-12-14-5-6-15-8-10-18-16(15)11-14/h3,5-6,8,10-11,17-18H,1-2,4,7,9,12H2.
What are the key properties of 2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine?
2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine has a molecular weight of 240.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine is sourced from PubChem (CID 106168823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).