2-(3H-inden-1-yl)-2-methylpropan-1-amine

C13H17N — CID 105442824

IUPAC2-(3H-inden-1-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)C1=CCc2ccccc21
InChIInChI=1S/C13H17N/c1-13(2,9-14)12-8-7-10-5-3-4-6-11(10)12/h3-6,8H,7,9,14H2,1-2H3
InChIKeyHYTACXZBFIUSPH-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.61
Rot. Bonds2

About 2-(3H-inden-1-yl)-2-methylpropan-1-amine

2-(3H-inden-1-yl)-2-methylpropan-1-amine (PubChem CID 105442824) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-(3H-inden-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3H-inden-1-yl)-2-methylpropan-1-amine
PubChem CID105442824
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-(3H-inden-1-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)C1=CCc2ccccc21
InChIInChI=1S/C13H17N/c1-13(2,9-14)12-8-7-10-5-3-4-6-11(10)12/h3-6,8H,7,9,14H2,1-2H3
InChIKeyHYTACXZBFIUSPH-UHFFFAOYSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-fluoro-3H-inden-1-yl)-2-methylpropan-1-amine
CID 105457773
1-(1-amino-2-methylpropan-2-yl)-3H-inden-4-ol
CID 105455680
3-trityl-1H-indene
CID 15667992
ethane;3-methyl-1H-indene
CID 90920725
1-(3H-inden-1-yl)-N,N-dimethylmethanamine
CID 20658444
1-(3H-inden-1-yl)-N-methylmethanamine
CID 105431281
ethanamine;9H-fluorene
CID 158316259
3-(chloromethyl)-1H-indene
CID 55301076
ethane;3H-inden-1-yl(dimethyl)borane
CID 90749071
(15E)-tetracyclo[16.4.0.02,7.09,14]docosa-1(22),2,4,6,9,11,13,15,18,20-decaen-15-amine
CID 145340322
3,5-ditert-butyl-1H-indene
CID 20675508
3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene
CID 129304045

Frequently Asked Questions

What is the IUPAC name of 2-(3H-inden-1-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(3H-inden-1-yl)-2-methylpropan-1-amine (CID 105442824) is 2-(3H-inden-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3H-inden-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(3H-inden-1-yl)-2-methylpropan-1-amine is CC(C)(CN)C1=CCc2ccccc21.
What is the InChIKey of 2-(3H-inden-1-yl)-2-methylpropan-1-amine?
The InChIKey is HYTACXZBFIUSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-13(2,9-14)12-8-7-10-5-3-4-6-11(10)12/h3-6,8H,7,9,14H2,1-2H3.
What are the key properties of 2-(3H-inden-1-yl)-2-methylpropan-1-amine?
2-(3H-inden-1-yl)-2-methylpropan-1-amine has a molecular weight of 187.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-inden-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 105442824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).