5-(2,3-dihydro-1H-inden-5-yl)-N,3,3-trimethylpentan-1-amine

C17H27N — CID 65303621

IUPAC5-(2,3-dihydro-1H-inden-5-yl)-N,3,3-trimethylpentan-1-amine
SMILESCNCCC(C)(C)CCc1ccc2c(c1)CCC2
InChIInChI=1S/C17H27N/c1-17(2,11-12-18-3)10-9-14-7-8-15-5-4-6-16(15)13-14/h7-8,13,18H,4-6,9-12H2,1-3H3
InChIKeyXXISVWLPTNWFOA-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.74
Rot. Bonds6

About 5-(2,3-dihydro-1H-inden-5-yl)-N,3,3-trimethylpentan-1-amine

5-(2,3-dihydro-1H-inden-5-yl)-N,3,3-trimethylpentan-1-amine (PubChem CID 65303621) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yl)-N,3,3-trimethylpentan-1-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yl)-N,3,3-trimethylpentan-1-amine
PubChem CID65303621
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name5-(2,3-dihydro-1H-inden-5-yl)-N,3,3-trimethylpentan-1-amine
SMILESCNCCC(C)(C)CCc1ccc2c(c1)CCC2
InChIInChI=1S/C17H27N/c1-17(2,11-12-18-3)10-9-14-7-8-15-5-4-6-16(15)13-14/h7-8,13,18H,4-6,9-12H2,1-3H3
InChIKeyXXISVWLPTNWFOA-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308901
5-(3,4-diethylphenyl)-N,3,3-trimethylpentan-1-amine
CID 115483394
5-(4-cyclohexylphenyl)-N,3,3-trimethylpentan-1-amine
CID 65303999
5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethyl-N-propylpentan-1-amine
CID 65304136
N,3,3-trimethyl-5-[4-(2-methylpropyl)phenyl]pentan-1-amine
CID 65304916
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115197636
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
CID 115195816
N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine
CID 115226489
N'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine
CID 115226970
3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 116925103
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine
CID 64663973

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-N,3,3-trimethylpentan-1-amine?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-N,3,3-trimethylpentan-1-amine (CID 65303621) is 5-(2,3-dihydro-1H-inden-5-yl)-N,3,3-trimethylpentan-1-amine.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yl)-N,3,3-trimethylpentan-1-amine?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yl)-N,3,3-trimethylpentan-1-amine is CNCCC(C)(C)CCc1ccc2c(c1)CCC2.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yl)-N,3,3-trimethylpentan-1-amine?
The InChIKey is XXISVWLPTNWFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-17(2,11-12-18-3)10-9-14-7-8-15-5-4-6-16(15)13-14/h7-8,13,18H,4-6,9-12H2,1-3H3.
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yl)-N,3,3-trimethylpentan-1-amine?
5-(2,3-dihydro-1H-inden-5-yl)-N,3,3-trimethylpentan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yl)-N,3,3-trimethylpentan-1-amine is sourced from PubChem (CID 65303621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).