1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol

C16H31NO — CID 79558433

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol
SMILESCCN(CC)C(C)(C)C(O)CC1CC2CCC1C2
InChIInChI=1S/C16H31NO/c1-5-17(6-2)16(3,4)15(18)11-14-10-12-7-8-13(14)9-12/h12-15,18H,5-11H2,1-4H3
InChIKeyYTFARAGGTMHNCP-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.29
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol

1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol (PubChem CID 79558433) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol
PubChem CID79558433
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol
SMILESCCN(CC)C(C)(C)C(O)CC1CC2CCC1C2
InChIInChI=1S/C16H31NO/c1-5-17(6-2)16(3,4)15(18)11-14-10-12-7-8-13(14)9-12/h12-15,18H,5-11H2,1-4H3
InChIKeyYTFARAGGTMHNCP-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-methylbutan-2-ol
CID 79558432
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol
CID 79558057
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-2-methylpropane-1,2-diamine
CID 79555012
1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79559304
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713452
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol
CID 79557935
1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol
CID 79550552
2-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethylbutanoic acid
CID 83139469
2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid
CID 151505965
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine
CID 79563499
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol
CID 66257446
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol (CID 79558433) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol is CCN(CC)C(C)(C)C(O)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol?
The InChIKey is YTFARAGGTMHNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-17(6-2)16(3,4)15(18)11-14-10-12-7-8-13(14)9-12/h12-15,18H,5-11H2,1-4H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol?
1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol has a molecular weight of 253.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol is sourced from PubChem (CID 79558433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).