N-[3-(2,3-dihydro-1H-indol-3-yl)propyl]cyclobutanamine

C15H22N2 — CID 115105527

IUPACN-[3-(2,3-dihydro-1H-indol-3-yl)propyl]cyclobutanamine
SMILESc1ccc2c(c1)NCC2CCCNC1CCC1
InChIInChI=1S/C15H22N2/c1-2-9-15-14(8-1)12(11-17-15)5-4-10-16-13-6-3-7-13/h1-2,8-9,12-13,16-17H,3-7,10-11H2
InChIKeyJQPGLIUWRDOLBT-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.12
Rot. Bonds5

About N-[3-(2,3-dihydro-1H-indol-3-yl)propyl]cyclobutanamine

N-[3-(2,3-dihydro-1H-indol-3-yl)propyl]cyclobutanamine (PubChem CID 115105527) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-[3-(2,3-dihydro-1H-indol-3-yl)propyl]cyclobutanamine.

Molecular Properties

Compound NameN-[3-(2,3-dihydro-1H-indol-3-yl)propyl]cyclobutanamine
PubChem CID115105527
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-[3-(2,3-dihydro-1H-indol-3-yl)propyl]cyclobutanamine
SMILESc1ccc2c(c1)NCC2CCCNC1CCC1
InChIInChI=1S/C15H22N2/c1-2-9-15-14(8-1)12(11-17-15)5-4-10-16-13-6-3-7-13/h1-2,8-9,12-13,16-17H,3-7,10-11H2
InChIKeyJQPGLIUWRDOLBT-UHFFFAOYSA-N
XLogP3.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-dihydro-1H-indol-3-yl)butanamide
CID 67613869
N-cyclopentyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide
CID 115105541
N-(dicyclopropylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanamine
CID 80577004
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide
CID 89199878
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-methylcycloheptanamine
CID 80577083
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-1-ethylcyclobutan-1-amine
CID 113488821
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine
CID 115568760
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methylcyclopentane-1-carboxamide
CID 107176784
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 80577041
N-cyclohexyl-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573809
N-butylbutan-1-amine;3-butyl-2,3-dihydro-1H-indole;2-chlorobutane
CID 70573589
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydro-1H-indol-3-yl)propyl]cyclobutanamine?
The IUPAC name of N-[3-(2,3-dihydro-1H-indol-3-yl)propyl]cyclobutanamine (CID 115105527) is N-[3-(2,3-dihydro-1H-indol-3-yl)propyl]cyclobutanamine.
What is the SMILES notation for N-[3-(2,3-dihydro-1H-indol-3-yl)propyl]cyclobutanamine?
The canonical SMILES for N-[3-(2,3-dihydro-1H-indol-3-yl)propyl]cyclobutanamine is c1ccc2c(c1)NCC2CCCNC1CCC1.
What is the InChIKey of N-[3-(2,3-dihydro-1H-indol-3-yl)propyl]cyclobutanamine?
The InChIKey is JQPGLIUWRDOLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-9-15-14(8-1)12(11-17-15)5-4-10-16-13-6-3-7-13/h1-2,8-9,12-13,16-17H,3-7,10-11H2.
What are the key properties of N-[3-(2,3-dihydro-1H-indol-3-yl)propyl]cyclobutanamine?
N-[3-(2,3-dihydro-1H-indol-3-yl)propyl]cyclobutanamine has a molecular weight of 230.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydro-1H-indol-3-yl)propyl]cyclobutanamine is sourced from PubChem (CID 115105527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).