N-(cyclopropylmethyl)-2-(7-methyl-7H-indol-3-yl)ethanamine

C15H20N2 — CID 67232441

IUPACN-(cyclopropylmethyl)-2-(7-methyl-7H-indol-3-yl)ethanamine
SMILESCC1C=CC=C2C(CCNCC3CC3)=CN=C21
InChIInChI=1S/C15H20N2/c1-11-3-2-4-14-13(10-17-15(11)14)7-8-16-9-12-5-6-12/h2-4,10-12,16H,5-9H2,1H3
InChIKeyNHWNAMSFPYVZCH-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.85
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(7-methyl-7H-indol-3-yl)ethanamine

N-(cyclopropylmethyl)-2-(7-methyl-7H-indol-3-yl)ethanamine (PubChem CID 67232441) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(7-methyl-7H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(7-methyl-7H-indol-3-yl)ethanamine
PubChem CID67232441
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-(cyclopropylmethyl)-2-(7-methyl-7H-indol-3-yl)ethanamine
SMILESCC1C=CC=C2C(CCNCC3CC3)=CN=C21
InChIInChI=1S/C15H20N2/c1-11-3-2-4-14-13(10-17-15(11)14)7-8-16-9-12-5-6-12/h2-4,10-12,16H,5-9H2,1H3
InChIKeyNHWNAMSFPYVZCH-UHFFFAOYSA-N
XLogP2.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(7-methyl-7H-indol-3-yl)ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-(7-methyl-7H-indol-3-yl)ethanamine (CID 67232441) is N-(cyclopropylmethyl)-2-(7-methyl-7H-indol-3-yl)ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(7-methyl-7H-indol-3-yl)ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-(7-methyl-7H-indol-3-yl)ethanamine is CC1C=CC=C2C(CCNCC3CC3)=CN=C21.
What is the InChIKey of N-(cyclopropylmethyl)-2-(7-methyl-7H-indol-3-yl)ethanamine?
The InChIKey is NHWNAMSFPYVZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-3-2-4-14-13(10-17-15(11)14)7-8-16-9-12-5-6-12/h2-4,10-12,16H,5-9H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-(7-methyl-7H-indol-3-yl)ethanamine?
N-(cyclopropylmethyl)-2-(7-methyl-7H-indol-3-yl)ethanamine has a molecular weight of 228.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(7-methyl-7H-indol-3-yl)ethanamine is sourced from PubChem (CID 67232441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).