N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine

C18H28N2 — CID 105415110

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCN(C)C1(CNC2c3ccccc3CC2(C)C)CCC1
InChIInChI=1S/C18H28N2/c1-17(2)12-14-8-5-6-9-15(14)16(17)19-13-18(20(3)4)10-7-11-18/h5-6,8-9,16,19H,7,10-13H2,1-4H3
InChIKeyKWJKXHCGBOVPLL-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.38
Rot. Bonds4

About N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine

N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 105415110) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID105415110
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCN(C)C1(CNC2c3ccccc3CC2(C)C)CCC1
InChIInChI=1S/C18H28N2/c1-17(2)12-14-8-5-6-9-15(14)16(17)19-13-18(20(3)4)10-7-11-18/h5-6,8-9,16,19H,7,10-13H2,1-4H3
InChIKeyKWJKXHCGBOVPLL-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]phenol
CID 114331575
2,2-dimethyl-N-(2-phenylethyl)-1,3-dihydroinden-1-amine
CID 82820863
N-(2-cyclohexylethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821544
N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040884
2,2-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-dihydroinden-1-amine
CID 82814406
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 113450019
2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]-1,3-dihydroinden-1-amine
CID 107417554
N-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 105415014
2,2-dimethyl-N-(2-pyrrolidin-1-ylpropyl)-1,3-dihydroinden-1-amine
CID 82814415
N-ethoxy-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82814561
N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821906
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82798101

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 105415110) is N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine is CN(C)C1(CNC2c3ccccc3CC2(C)C)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is KWJKXHCGBOVPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-17(2)12-14-8-5-6-9-15(14)16(17)19-13-18(20(3)4)10-7-11-18/h5-6,8-9,16,19H,7,10-13H2,1-4H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 105415110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).