N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methylpropyl)cyclopropanamine

C16H24N2 — CID 55001070

IUPACN-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methylpropyl)cyclopropanamine
SMILESCC(C)CN(Cc1ccc2c(c1)CCN2)C1CC1
InChIInChI=1S/C16H24N2/c1-12(2)10-18(15-4-5-15)11-13-3-6-16-14(9-13)7-8-17-16/h3,6,9,12,15,17H,4-5,7-8,10-11H2,1-2H3
InChIKeyXHOAWASSFLCGTJ-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.28
Rot. Bonds5

About N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methylpropyl)cyclopropanamine

N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methylpropyl)cyclopropanamine (PubChem CID 55001070) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methylpropyl)cyclopropanamine
PubChem CID55001070
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methylpropyl)cyclopropanamine
SMILESCC(C)CN(Cc1ccc2c(c1)CCN2)C1CC1
InChIInChI=1S/C16H24N2/c1-12(2)10-18(15-4-5-15)11-13-3-6-16-14(9-13)7-8-17-16/h3,6,9,12,15,17H,4-5,7-8,10-11H2,1-2H3
InChIKeyXHOAWASSFLCGTJ-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dicarbine
CID 65684
Indoline
CID 10328
2-Methylindoline
CID 23305
2,3-dimethyl-2,3-dihydro-1H-indole
CID 30944
2-(2,3-Dihydro-1H-indol-3-yl)ethan-1-amine
CID 12655251
2-(2,3-Dihydro-1H-indol-5-yl)-1-methyl-ethylamine
CID 13660281
2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole dihydrochloride
CID 134973
Indolin-6-ylamine hydrochloride
CID 34184
Stobadine
CID 108089
N,N-dimethyl-4-{[(propan-2-yl)amino]methyl}aniline
CID 2774184
2,3,3-Trimethylindoline
CID 10942760
1-(2,3-Dihydro-1H-indol-5-ylmethyl)-propylamine
CID 13660291

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methylpropyl)cyclopropanamine?
The IUPAC name of N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methylpropyl)cyclopropanamine (CID 55001070) is N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methylpropyl)cyclopropanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methylpropyl)cyclopropanamine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methylpropyl)cyclopropanamine is CC(C)CN(Cc1ccc2c(c1)CCN2)C1CC1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methylpropyl)cyclopropanamine?
The InChIKey is XHOAWASSFLCGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12(2)10-18(15-4-5-15)11-13-3-6-16-14(9-13)7-8-17-16/h3,6,9,12,15,17H,4-5,7-8,10-11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methylpropyl)cyclopropanamine?
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methylpropyl)cyclopropanamine has a molecular weight of 244.38 g/mol, XLogP of 3.28, 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-5-ylmethyl)-N-(2-methylpropyl)cyclopropanamine is sourced from PubChem (CID 55001070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).