3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol

C16H25NO — CID 114265228

IUPAC3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol
SMILESCC(C)(C)C(O)CNc1cccc2c1CCCC2
InChIInChI=1S/C16H25NO/c1-16(2,3)15(18)11-17-14-10-6-8-12-7-4-5-9-13(12)14/h6,8,10,15,17-18H,4-5,7,9,11H2,1-3H3
InChIKeyBGWRXUNRRNLKSR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.38
Rot. Bonds3

About 3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol

3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol (PubChem CID 114265228) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol
PubChem CID114265228
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol
SMILESCC(C)(C)C(O)CNc1cccc2c1CCCC2
InChIInChI=1S/C16H25NO/c1-16(2,3)15(18)11-17-14-10-6-8-12-7-4-5-9-13(12)14/h6,8,10,15,17-18H,4-5,7,9,11H2,1-3H3
InChIKeyBGWRXUNRRNLKSR-UHFFFAOYSA-N
XLogP3.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 60922527
N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 55233075
3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol
CID 168593617
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43538421
1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60897291
2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol
CID 114492544
2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanol
CID 28573020
3,3,3-trifluoro-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]propanenitrile
CID 103366909
2-methyl-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]butan-1-ol
CID 81411790
1-morpholin-4-yl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60897292
N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43079025
methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate
CID 43179666

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol?
The IUPAC name of 3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol (CID 114265228) is 3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol is CC(C)(C)C(O)CNc1cccc2c1CCCC2.
What is the InChIKey of 3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol?
The InChIKey is BGWRXUNRRNLKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,3)15(18)11-17-14-10-6-8-12-7-4-5-9-13(12)14/h6,8,10,15,17-18H,4-5,7,9,11H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol?
3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol is sourced from PubChem (CID 114265228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).