1-(2-adamantylamino)-4-methoxy-2-methylbutan-2-ol

C16H29NO2 — CID 103784145

IUPAC1-(2-adamantylamino)-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H29NO2/c1-16(18,3-4-19-2)10-17-15-13-6-11-5-12(8-13)9-14(15)7-11/h11-15,17-18H,3-10H2,1-2H3
InChIKeyVQVLITVWFGYVIO-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.19
Rot. Bonds6

About 1-(2-adamantylamino)-4-methoxy-2-methylbutan-2-ol

1-(2-adamantylamino)-4-methoxy-2-methylbutan-2-ol (PubChem CID 103784145) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-(2-adamantylamino)-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2-adamantylamino)-4-methoxy-2-methylbutan-2-ol
PubChem CID103784145
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-(2-adamantylamino)-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H29NO2/c1-16(18,3-4-19-2)10-17-15-13-6-11-5-12(8-13)9-14(15)7-11/h11-15,17-18H,3-10H2,1-2H3
InChIKeyVQVLITVWFGYVIO-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-adamantylamino)-2,4-dimethylpentan-2-ol
CID 66179718
4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol
CID 103699568
4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol
CID 103699567
trans-(1R,2R)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol
CID 106255147
N-(3-methoxy-3-methylbutyl)adamantan-2-amine
CID 106675234
1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106249315
4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 102609647
4-methoxy-2-methyl-1-[(2-methylthiolan-3-yl)amino]butan-2-ol
CID 102672202
4-methoxy-2-methyl-1-[(4-methylcycloheptyl)amino]butan-2-ol
CID 106249580
2-[(2-adamantylamino)methyl]-2-methylbutan-1-ol
CID 81413296
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-2-methylbutan-2-ol
CID 79558049
1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol
CID 106255210

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantylamino)-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-(2-adamantylamino)-4-methoxy-2-methylbutan-2-ol (CID 103784145) is 1-(2-adamantylamino)-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2-adamantylamino)-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-(2-adamantylamino)-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantylamino)-4-methoxy-2-methylbutan-2-ol?
The InChIKey is VQVLITVWFGYVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-16(18,3-4-19-2)10-17-15-13-6-11-5-12(8-13)9-14(15)7-11/h11-15,17-18H,3-10H2,1-2H3.
What are the key properties of 1-(2-adamantylamino)-4-methoxy-2-methylbutan-2-ol?
1-(2-adamantylamino)-4-methoxy-2-methylbutan-2-ol has a molecular weight of 267.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantylamino)-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 103784145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).