3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2,2-dimethylcyclobutan-1-ol

C18H27NO — CID 114628980

IUPAC3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)CCc2ccccc2C1NC1CC(O)C1(C)C
InChIInChI=1S/C18H27NO/c1-17(2)10-9-12-7-5-6-8-13(12)16(17)19-14-11-15(20)18(14,3)4/h5-8,14-16,19-20H,9-11H2,1-4H3
InChIKeyIDOQRQQOKQRGEH-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.45
Rot. Bonds2

About 3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2,2-dimethylcyclobutan-1-ol

3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114628980) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114628980
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)CCc2ccccc2C1NC1CC(O)C1(C)C
InChIInChI=1S/C18H27NO/c1-17(2)10-9-12-7-5-6-8-13(12)16(17)19-14-11-15(20)18(14,3)4/h5-8,14-16,19-20H,9-11H2,1-4H3
InChIKeyIDOQRQQOKQRGEH-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2,2-dimethylcyclobutan-1-ol with MolForge

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Related Compounds

4-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)cyclohexane-1,4-diamine
CID 115532055
N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 114544136
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-methyloxan-4-amine
CID 103931801
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-methyloxolan-3-amine
CID 82726246
N-(4-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115532012
N-(3-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115532119
(2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol
CID 114266891
2,2-dimethyl-3-[[3-(2-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol
CID 115977800
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-1-ol
CID 113329785
4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol
CID 106125002
2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329778
2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]cyclopentane-1-carbonitrile
CID 115532068

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2,2-dimethylcyclobutan-1-ol (CID 114628980) is 3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2,2-dimethylcyclobutan-1-ol is CC1(C)CCc2ccccc2C1NC1CC(O)C1(C)C.
What is the InChIKey of 3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is IDOQRQQOKQRGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-17(2)10-9-12-7-5-6-8-13(12)16(17)19-14-11-15(20)18(14,3)4/h5-8,14-16,19-20H,9-11H2,1-4H3.
What are the key properties of 3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2,2-dimethylcyclobutan-1-ol?
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114628980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).