N-[4-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutyl]cyclopropanamine

C18H27N — CID 65308901

IUPACN-[4-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutyl]cyclopropanamine
SMILESCC(C)(CCc1ccc2c(c1)CCC2)CNC1CC1
InChIInChI=1S/C18H27N/c1-18(2,13-19-17-8-9-17)11-10-14-6-7-15-4-3-5-16(15)12-14/h6-7,12,17,19H,3-5,8-11,13H2,1-2H3
InChIKeyJMHBDURAKMNKOP-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.89
Rot. Bonds6

About N-[4-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutyl]cyclopropanamine

N-[4-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutyl]cyclopropanamine (PubChem CID 65308901) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutyl]cyclopropanamine
PubChem CID65308901
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-[4-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutyl]cyclopropanamine
SMILESCC(C)(CCc1ccc2c(c1)CCC2)CNC1CC1
InChIInChI=1S/C18H27N/c1-18(2,13-19-17-8-9-17)11-10-14-6-7-15-4-3-5-16(15)12-14/h6-7,12,17,19H,3-5,8-11,13H2,1-2H3
InChIKeyJMHBDURAKMNKOP-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2,3-dihydro-1H-inden-5-yl)-N,3,3-trimethylpentan-1-amine
CID 65303621
N-[4-(4-ethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308897
N-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308491
N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine
CID 98016854
N-[4-(2,5-dimethylphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308480
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
N-[4-(2,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308482
3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 116925103
2-cyclohexyl-1-(2,3-dihydro-1H-inden-5-ylmethylamino)propan-2-ol
CID 166350957
N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]cyclopropanamine
CID 61034448
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine
CID 64663973
N-(2,2,5,5-tetramethylhexyl)cyclopropanamine
CID 62725148

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutyl]cyclopropanamine (CID 65308901) is N-[4-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutyl]cyclopropanamine is CC(C)(CCc1ccc2c(c1)CCC2)CNC1CC1.
What is the InChIKey of N-[4-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutyl]cyclopropanamine?
The InChIKey is JMHBDURAKMNKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-18(2,13-19-17-8-9-17)11-10-14-6-7-15-4-3-5-16(15)12-14/h6-7,12,17,19H,3-5,8-11,13H2,1-2H3.
What are the key properties of N-[4-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutyl]cyclopropanamine?
N-[4-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutyl]cyclopropanamine has a molecular weight of 257.42 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 65308901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).