N-methyl-3-[2-(2-phenyl-1H-indol-3-yl)ethyl]pent-4-en-1-amine

C22H26N2 — CID 154961779

IUPACN-methyl-3-[2-(2-phenyl-1H-indol-3-yl)ethyl]pent-4-en-1-amine
SMILESC=CC(CCNC)CCc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C22H26N2/c1-3-17(15-16-23-2)13-14-20-19-11-7-8-12-21(19)24-22(20)18-9-5-4-6-10-18/h3-12,17,23-24H,1,13-16H2,2H3
InChIKeyVRSMICVTLPRUEI-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.18
Rot. Bonds8

About N-methyl-3-[2-(2-phenyl-1H-indol-3-yl)ethyl]pent-4-en-1-amine

N-methyl-3-[2-(2-phenyl-1H-indol-3-yl)ethyl]pent-4-en-1-amine (PubChem CID 154961779) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-methyl-3-[2-(2-phenyl-1H-indol-3-yl)ethyl]pent-4-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-(2-phenyl-1H-indol-3-yl)ethyl]pent-4-en-1-amine
PubChem CID154961779
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC NameN-methyl-3-[2-(2-phenyl-1H-indol-3-yl)ethyl]pent-4-en-1-amine
SMILESC=CC(CCNC)CCc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C22H26N2/c1-3-17(15-16-23-2)13-14-20-19-11-7-8-12-21(19)24-22(20)18-9-5-4-6-10-18/h3-12,17,23-24H,1,13-16H2,2H3
InChIKeyVRSMICVTLPRUEI-UHFFFAOYSA-N
XLogP5.18
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(2-phenyl-1H-indol-3-yl)ethyl]pent-4-en-1-amine?
The IUPAC name of N-methyl-3-[2-(2-phenyl-1H-indol-3-yl)ethyl]pent-4-en-1-amine (CID 154961779) is N-methyl-3-[2-(2-phenyl-1H-indol-3-yl)ethyl]pent-4-en-1-amine.
What is the SMILES notation for N-methyl-3-[2-(2-phenyl-1H-indol-3-yl)ethyl]pent-4-en-1-amine?
The canonical SMILES for N-methyl-3-[2-(2-phenyl-1H-indol-3-yl)ethyl]pent-4-en-1-amine is C=CC(CCNC)CCc1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of N-methyl-3-[2-(2-phenyl-1H-indol-3-yl)ethyl]pent-4-en-1-amine?
The InChIKey is VRSMICVTLPRUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-3-17(15-16-23-2)13-14-20-19-11-7-8-12-21(19)24-22(20)18-9-5-4-6-10-18/h3-12,17,23-24H,1,13-16H2,2H3.
What are the key properties of N-methyl-3-[2-(2-phenyl-1H-indol-3-yl)ethyl]pent-4-en-1-amine?
N-methyl-3-[2-(2-phenyl-1H-indol-3-yl)ethyl]pent-4-en-1-amine has a molecular weight of 318.46 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(2-phenyl-1H-indol-3-yl)ethyl]pent-4-en-1-amine is sourced from PubChem (CID 154961779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).