N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-(2-methylpropyl)cyclopentanamine

C18H28N2 — CID 80568085

IUPACN-(2,3-dihydro-1H-indol-2-ylmethyl)-N-(2-methylpropyl)cyclopentanamine
SMILESCC(C)CN(CC1Cc2ccccc2N1)C1CCCC1
InChIInChI=1S/C18H28N2/c1-14(2)12-20(17-8-4-5-9-17)13-16-11-15-7-3-6-10-18(15)19-16/h3,6-7,10,14,16-17,19H,4-5,8-9,11-13H2,1-2H3
InChIKeyPAQFAKWNBMCYAJ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.92
Rot. Bonds5

About N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-(2-methylpropyl)cyclopentanamine

N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-(2-methylpropyl)cyclopentanamine (PubChem CID 80568085) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-(2-methylpropyl)cyclopentanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-2-ylmethyl)-N-(2-methylpropyl)cyclopentanamine
PubChem CID80568085
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-(2,3-dihydro-1H-indol-2-ylmethyl)-N-(2-methylpropyl)cyclopentanamine
SMILESCC(C)CN(CC1Cc2ccccc2N1)C1CCCC1
InChIInChI=1S/C18H28N2/c1-14(2)12-20(17-8-4-5-9-17)13-16-11-15-7-3-6-10-18(15)19-16/h3,6-7,10,14,16-17,19H,4-5,8-9,11-13H2,1-2H3
InChIKeyPAQFAKWNBMCYAJ-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-(2-methylpropyl)cyclopentanamine?
The IUPAC name of N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-(2-methylpropyl)cyclopentanamine (CID 80568085) is N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-(2-methylpropyl)cyclopentanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-(2-methylpropyl)cyclopentanamine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-(2-methylpropyl)cyclopentanamine is CC(C)CN(CC1Cc2ccccc2N1)C1CCCC1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-(2-methylpropyl)cyclopentanamine?
The InChIKey is PAQFAKWNBMCYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14(2)12-20(17-8-4-5-9-17)13-16-11-15-7-3-6-10-18(15)19-16/h3,6-7,10,14,16-17,19H,4-5,8-9,11-13H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-(2-methylpropyl)cyclopentanamine?
N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-(2-methylpropyl)cyclopentanamine has a molecular weight of 272.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-(2-methylpropyl)cyclopentanamine is sourced from PubChem (CID 80568085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).