N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine

C18H29N — CID 64663973

IUPACN-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine
SMILESCC(CCc1ccc2c(c1)CCC2)CNC(C)(C)C
InChIInChI=1S/C18H29N/c1-14(13-19-18(2,3)4)8-9-15-10-11-16-6-5-7-17(16)12-15/h10-12,14,19H,5-9,13H2,1-4H3
InChIKeyQGGIYMCAHBZKKZ-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.13
Rot. Bonds5

About N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine

N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine (PubChem CID 64663973) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine
PubChem CID64663973
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine
SMILESCC(CCc1ccc2c(c1)CCC2)CNC(C)(C)C
InChIInChI=1S/C18H29N/c1-14(13-19-18(2,3)4)8-9-15-10-11-16-6-5-7-17(16)12-15/h10-12,14,19H,5-9,13H2,1-4H3
InChIKeyQGGIYMCAHBZKKZ-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-(2-methylpropyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-amine
CID 65305015
N-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine
CID 64663958
6-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylhexan-3-ol
CID 64515618
2-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 115202278
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
5-(2,3-dihydro-1H-inden-5-yl)-N,3,3-trimethylpentan-1-amine
CID 65303621
N-tert-butyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-1-amine
CID 83048915
O-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydroxylamine
CID 83482053
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115198218
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diol
CID 83931756
N-[3-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-2-methylpropan-2-amine
CID 103228618

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine (CID 64663973) is N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine is CC(CCc1ccc2c(c1)CCC2)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine?
The InChIKey is QGGIYMCAHBZKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14(13-19-18(2,3)4)8-9-15-10-11-16-6-5-7-17(16)12-15/h10-12,14,19H,5-9,13H2,1-4H3.
What are the key properties of N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine?
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 64663973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).