N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(2,2-dimethylcyclopropyl)methanamine

C16H23N — CID 113244920

IUPACN-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(2,2-dimethylcyclopropyl)methanamine
SMILESCC1(C)CC1CNCc1ccc2c(c1)CCC2
InChIInChI=1S/C16H23N/c1-16(2)9-15(16)11-17-10-12-6-7-13-4-3-5-14(13)8-12/h6-8,15,17H,3-5,9-11H2,1-2H3
InChIKeyUNDOBVDSQOWJSH-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.31
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(2,2-dimethylcyclopropyl)methanamine

N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(2,2-dimethylcyclopropyl)methanamine (PubChem CID 113244920) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(2,2-dimethylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(2,2-dimethylcyclopropyl)methanamine
PubChem CID113244920
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(2,2-dimethylcyclopropyl)methanamine
SMILESCC1(C)CC1CNCc1ccc2c(c1)CCC2
InChIInChI=1S/C16H23N/c1-16(2)9-15(16)11-17-10-12-6-7-13-4-3-5-14(13)8-12/h6-8,15,17H,3-5,9-11H2,1-2H3
InChIKeyUNDOBVDSQOWJSH-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine
CID 3129766
N'-[1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethyl]-N,N-dimethylpropane-1,3-diamine
CID 3396601
Jmf9RU2blc
CID 57426056
N-(4-isopropylbenzyl)cyclopropanamine
CID 4723387
N-ethyl-8-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine
CID 44373590
(1S,5R)-1-(2,3-dihydro-1H-inden-5-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561255
(E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 127044971
trans-(1S,2R)-N-[(4-tert-butylphenyl)methyl]-2-phenylcyclopropan-1-amine
CID 145991036
N-[(2-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 164613508
US10202330, Example 7
CID 89492547
Monoamine derivative 3
CID 43220319
Benzylamine, p-isopropyl-N-octyl-
CID 46294

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(2,2-dimethylcyclopropyl)methanamine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(2,2-dimethylcyclopropyl)methanamine (CID 113244920) is N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(2,2-dimethylcyclopropyl)methanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(2,2-dimethylcyclopropyl)methanamine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(2,2-dimethylcyclopropyl)methanamine is CC1(C)CC1CNCc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(2,2-dimethylcyclopropyl)methanamine?
The InChIKey is UNDOBVDSQOWJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-16(2)9-15(16)11-17-10-12-6-7-13-4-3-5-14(13)8-12/h6-8,15,17H,3-5,9-11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(2,2-dimethylcyclopropyl)methanamine?
N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(2,2-dimethylcyclopropyl)methanamine has a molecular weight of 229.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(2,2-dimethylcyclopropyl)methanamine is sourced from PubChem (CID 113244920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).