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

C14H27NO — CID 79558432

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-methylbutan-2-ol
SMILESCN(C)C(C)(C)C(O)CC1CC2CCC1C2
InChIInChI=1S/C14H27NO/c1-14(2,15(3)4)13(16)9-12-8-10-5-6-11(12)7-10/h10-13,16H,5-9H2,1-4H3
InChIKeyOXNXWVKYZJNHFO-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.51
Rot. Bonds4

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

1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-methylbutan-2-ol (PubChem CID 79558432) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-methylbutan-2-ol
PubChem CID79558432
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-methylbutan-2-ol
SMILESCN(C)C(C)(C)C(O)CC1CC2CCC1C2
InChIInChI=1S/C14H27NO/c1-14(2,15(3)4)13(16)9-12-8-10-5-6-11(12)7-10/h10-13,16H,5-9H2,1-4H3
InChIKeyOXNXWVKYZJNHFO-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-methylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol
CID 79558433
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol
CID 79558057
1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79559304
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol
CID 79557935
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713452
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
2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(dimethylamino)cycloheptyl]ethanol
CID 79558765
2-(2-bicyclo[2.2.1]heptanyl)-1-(6-bicyclo[3.1.0]hexanyl)ethanol
CID 115821223
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine
CID 79563499
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methyloxolan-3-yl)ethanol
CID 115821257
2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
CID 115821324

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-methylbutan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-methylbutan-2-ol (CID 79558432) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-methylbutan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-methylbutan-2-ol is CN(C)C(C)(C)C(O)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-methylbutan-2-ol?
The InChIKey is OXNXWVKYZJNHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-14(2,15(3)4)13(16)9-12-8-10-5-6-11(12)7-10/h10-13,16H,5-9H2,1-4H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-methylbutan-2-ol?
1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-methylbutan-2-ol has a molecular weight of 225.38 g/mol, XLogP of 2.51, 4 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-(dimethylamino)-3-methylbutan-2-ol is sourced from PubChem (CID 79558432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).