N-[2-(1-methylindol-3-yl)ethyl]tricos-1-en-2-amine

C34H58N2 — CID 137414411

IUPACN-[2-(1-methylindol-3-yl)ethyl]tricos-1-en-2-amine
SMILESC=C(CCCCCCCCCCCCCCCCCCCCC)NCCc1cn(C)c2ccccc12
InChIInChI=1S/C34H58N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-31(2)35-29-28-32-30-36(3)34-27-24-23-26-33(32)34/h23-24,26-27,30,35H,2,4-22,25,28-29H2,1,3H3
InChIKeyOVUZMLDYBIWFAB-UHFFFAOYSA-N
MW494.85 g/mol
LogP10.65
Rot. Bonds24

About N-[2-(1-methylindol-3-yl)ethyl]tricos-1-en-2-amine

N-[2-(1-methylindol-3-yl)ethyl]tricos-1-en-2-amine (PubChem CID 137414411) has the molecular formula C34H58N2 and a molecular weight of 494.85 g/mol. Its IUPAC name is N-[2-(1-methylindol-3-yl)ethyl]tricos-1-en-2-amine.

Molecular Properties

Compound NameN-[2-(1-methylindol-3-yl)ethyl]tricos-1-en-2-amine
PubChem CID137414411
Molecular FormulaC34H58N2
Molecular Weight494.85 g/mol
Exact Mass494.46
IUPAC NameN-[2-(1-methylindol-3-yl)ethyl]tricos-1-en-2-amine
SMILESC=C(CCCCCCCCCCCCCCCCCCCCC)NCCc1cn(C)c2ccccc12
InChIInChI=1S/C34H58N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-31(2)35-29-28-32-30-36(3)34-27-24-23-26-33(32)34/h23-24,26-27,30,35H,2,4-22,25,28-29H2,1,3H3
InChIKeyOVUZMLDYBIWFAB-UHFFFAOYSA-N
XLogP10.65
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.85
LogP ≤ 510.65
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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Related Compounds

3-decyl-1-methylindole
CID 10802084
methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate
CID 14613226
2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
3-[2-(1-methylindol-3-yl)ethylamino]propan-1-ol
CID 115217042
4-[2-(1-methylindol-3-yl)ethylamino]butan-1-ol
CID 115217783
N-ethyl-3-(1-methylindol-3-yl)propanamide
CID 167074114
2-acetamido-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 11196581
1-(1-methylindol-3-yl)octan-1-one
CID 43340220
4-(1-methylindol-3-yl)butanamide
CID 175206986
2-[2-(1-methylindol-3-yl)ethylamino]ethanethiol
CID 115224231
N-[2-(4,6-dimethyl-1H-azonin-3-yl)ethyl]henicos-1-en-2-amine
CID 137414440

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylindol-3-yl)ethyl]tricos-1-en-2-amine?
The IUPAC name of N-[2-(1-methylindol-3-yl)ethyl]tricos-1-en-2-amine (CID 137414411) is N-[2-(1-methylindol-3-yl)ethyl]tricos-1-en-2-amine.
What is the SMILES notation for N-[2-(1-methylindol-3-yl)ethyl]tricos-1-en-2-amine?
The canonical SMILES for N-[2-(1-methylindol-3-yl)ethyl]tricos-1-en-2-amine is C=C(CCCCCCCCCCCCCCCCCCCCC)NCCc1cn(C)c2ccccc12.
What is the InChIKey of N-[2-(1-methylindol-3-yl)ethyl]tricos-1-en-2-amine?
The InChIKey is OVUZMLDYBIWFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H58N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-31(2)35-29-28-32-30-36(3)34-27-24-23-26-33(32)34/h23-24,26-27,30,35H,2,4-22,25,28-29H2,1,3H3.
What are the key properties of N-[2-(1-methylindol-3-yl)ethyl]tricos-1-en-2-amine?
N-[2-(1-methylindol-3-yl)ethyl]tricos-1-en-2-amine has a molecular weight of 494.85 g/mol, XLogP of 10.65, 24 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylindol-3-yl)ethyl]tricos-1-en-2-amine is sourced from PubChem (CID 137414411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).