N,1-dipentyl-2,3-dihydroindol-6-amine

C18H30N2 — CID 70410805

IUPACN,1-dipentyl-2,3-dihydroindol-6-amine
SMILESCCCCCNc1ccc2c(c1)N(CCCCC)CC2
InChIInChI=1S/C18H30N2/c1-3-5-7-12-19-17-10-9-16-11-14-20(18(16)15-17)13-8-6-4-2/h9-10,15,19H,3-8,11-14H2,1-2H3
InChIKeyCPFVFSSMVVQWJI-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.84
Rot. Bonds9

About N,1-dipentyl-2,3-dihydroindol-6-amine

N,1-dipentyl-2,3-dihydroindol-6-amine (PubChem CID 70410805) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N,1-dipentyl-2,3-dihydroindol-6-amine.

Molecular Properties

Compound NameN,1-dipentyl-2,3-dihydroindol-6-amine
PubChem CID70410805
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN,1-dipentyl-2,3-dihydroindol-6-amine
SMILESCCCCCNc1ccc2c(c1)N(CCCCC)CC2
InChIInChI=1S/C18H30N2/c1-3-5-7-12-19-17-10-9-16-11-14-20(18(16)15-17)13-8-6-4-2/h9-10,15,19H,3-8,11-14H2,1-2H3
InChIKeyCPFVFSSMVVQWJI-UHFFFAOYSA-N
XLogP4.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.84
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,1-dipentyl-2,3-dihydroindol-6-amine?
The IUPAC name of N,1-dipentyl-2,3-dihydroindol-6-amine (CID 70410805) is N,1-dipentyl-2,3-dihydroindol-6-amine.
What is the SMILES notation for N,1-dipentyl-2,3-dihydroindol-6-amine?
The canonical SMILES for N,1-dipentyl-2,3-dihydroindol-6-amine is CCCCCNc1ccc2c(c1)N(CCCCC)CC2.
What is the InChIKey of N,1-dipentyl-2,3-dihydroindol-6-amine?
The InChIKey is CPFVFSSMVVQWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-5-7-12-19-17-10-9-16-11-14-20(18(16)15-17)13-8-6-4-2/h9-10,15,19H,3-8,11-14H2,1-2H3.
What are the key properties of N,1-dipentyl-2,3-dihydroindol-6-amine?
N,1-dipentyl-2,3-dihydroindol-6-amine has a molecular weight of 274.45 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dipentyl-2,3-dihydroindol-6-amine is sourced from PubChem (CID 70410805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).