N-(cyclopropylmethyl)-2-(5-methylindol-1-yl)ethanamine

C15H20N2 — CID 55218506

IUPACN-(cyclopropylmethyl)-2-(5-methylindol-1-yl)ethanamine
SMILESCc1ccc2c(ccn2CCNCC2CC2)c1
InChIInChI=1S/C15H20N2/c1-12-2-5-15-14(10-12)6-8-17(15)9-7-16-11-13-3-4-13/h2,5-6,8,10,13,16H,3-4,7,9,11H2,1H3
InChIKeyONURXKBEYDWPCR-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.95
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(5-methylindol-1-yl)ethanamine

N-(cyclopropylmethyl)-2-(5-methylindol-1-yl)ethanamine (PubChem CID 55218506) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(5-methylindol-1-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(5-methylindol-1-yl)ethanamine
PubChem CID55218506
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-(cyclopropylmethyl)-2-(5-methylindol-1-yl)ethanamine
SMILESCc1ccc2c(ccn2CCNCC2CC2)c1
InChIInChI=1S/C15H20N2/c1-12-2-5-15-14(10-12)6-8-17(15)9-7-16-11-13-3-4-13/h2,5-6,8,10,13,16H,3-4,7,9,11H2,1H3
InChIKeyONURXKBEYDWPCR-UHFFFAOYSA-N
XLogP2.95
TPSA16.96 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 ≤ 52.95
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-(5-methylindol-1-yl)ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-(5-methylindol-1-yl)ethanamine (CID 55218506) is N-(cyclopropylmethyl)-2-(5-methylindol-1-yl)ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(5-methylindol-1-yl)ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-(5-methylindol-1-yl)ethanamine is Cc1ccc2c(ccn2CCNCC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(5-methylindol-1-yl)ethanamine?
The InChIKey is ONURXKBEYDWPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12-2-5-15-14(10-12)6-8-17(15)9-7-16-11-13-3-4-13/h2,5-6,8,10,13,16H,3-4,7,9,11H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-(5-methylindol-1-yl)ethanamine?
N-(cyclopropylmethyl)-2-(5-methylindol-1-yl)ethanamine has a molecular weight of 228.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(5-methylindol-1-yl)ethanamine is sourced from PubChem (CID 55218506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).