2,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-dihydroinden-1-amine

C18H23NS — CID 82821062

IUPAC2,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-dihydroinden-1-amine
SMILESCC(Cc1cccs1)NC1c2ccccc2CC1(C)C
InChIInChI=1S/C18H23NS/c1-13(11-15-8-6-10-20-15)19-17-16-9-5-4-7-14(16)12-18(17,2)3/h4-10,13,17,19H,11-12H2,1-3H3
InChIKeyUPXPOHHQJZBUDW-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.59
Rot. Bonds4

About 2,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-dihydroinden-1-amine

2,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-dihydroinden-1-amine (PubChem CID 82821062) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-dihydroinden-1-amine
PubChem CID82821062
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name2,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-dihydroinden-1-amine
SMILESCC(Cc1cccs1)NC1c2ccccc2CC1(C)C
InChIInChI=1S/C18H23NS/c1-13(11-15-8-6-10-20-15)19-17-16-9-5-4-7-14(16)12-18(17,2)3/h4-10,13,17,19H,11-12H2,1-3H3
InChIKeyUPXPOHHQJZBUDW-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine
CID 82814846
3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]butan-1-ol
CID 83177492
4,4-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)thian-3-amine
CID 79948426
N-(1-thiophen-2-ylpropan-2-yl)cyclopropanamine
CID 82262604
N-(1-imidazol-1-ylpropan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821543
1-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentan-1-amine
CID 115916040
N-[(1R)-1-cycloheptylethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82796846
2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-phenylethanol
CID 82797031
2,2-dimethyl-N-(4-propan-2-ylphenyl)-1,3-dihydroinden-1-amine
CID 82796504
4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol
CID 103904586
N-(1-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82814694
N-(1-cyclopropylbutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82815193

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-dihydroinden-1-amine?
The IUPAC name of 2,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-dihydroinden-1-amine (CID 82821062) is 2,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-dihydroinden-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-dihydroinden-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-dihydroinden-1-amine is CC(Cc1cccs1)NC1c2ccccc2CC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-dihydroinden-1-amine?
The InChIKey is UPXPOHHQJZBUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-13(11-15-8-6-10-20-15)19-17-16-9-5-4-7-14(16)12-18(17,2)3/h4-10,13,17,19H,11-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-dihydroinden-1-amine?
2,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-dihydroinden-1-amine has a molecular weight of 285.46 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-dihydroinden-1-amine is sourced from PubChem (CID 82821062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).