1-(2-adamantylamino)-2,4-dimethylpentan-2-ol

C17H31NO — CID 66179718

IUPAC1-(2-adamantylamino)-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H31NO/c1-11(2)9-17(3,19)10-18-16-14-5-12-4-13(7-14)8-15(16)6-12/h11-16,18-19H,4-10H2,1-3H3
InChIKeyDFLMGLWDRPXECT-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.20
Rot. Bonds5

About 1-(2-adamantylamino)-2,4-dimethylpentan-2-ol

1-(2-adamantylamino)-2,4-dimethylpentan-2-ol (PubChem CID 66179718) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(2-adamantylamino)-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(2-adamantylamino)-2,4-dimethylpentan-2-ol
PubChem CID66179718
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-(2-adamantylamino)-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H31NO/c1-11(2)9-17(3,19)10-18-16-14-5-12-4-13(7-14)8-15(16)6-12/h11-16,18-19H,4-10H2,1-3H3
InChIKeyDFLMGLWDRPXECT-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Adamantylamino)ethanol
CID 64369
2-(1-Adamantylmethylamino)-3-methylbutan-1-ol
CID 23990757
6-(2-Adamantylamino)-2-methyl-2-heptanol
CID 2846608
2-(Tert-butylamino)adamantan-1-ol
CID 59574304
4-(Propan-2-ylamino)adamantan-1-ol
CID 59868061
1-(1-Adamantylamino)-2-methylpropan-2-ol
CID 60884429
(3S,5R)-4-(propan-2-ylamino)adamantan-1-ol
CID 130334652
2-Methyl-5-[(7-methyl-2-bicyclo[3.3.1]nonanyl)amino]pentan-2-ol
CID 134204342
1-(2-Adamantylamino)propan-2-ol;hydrochloride
CID 139785547
1-[(4-Amino-1-adamantyl)amino]-2-methylpropan-2-ol
CID 141346144
2-(Methylamino)adamantan-1-ol
CID 149877452
4-(Nonylamino)adamantan-1-ol
CID 150896371

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantylamino)-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-(2-adamantylamino)-2,4-dimethylpentan-2-ol (CID 66179718) is 1-(2-adamantylamino)-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(2-adamantylamino)-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(2-adamantylamino)-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantylamino)-2,4-dimethylpentan-2-ol?
The InChIKey is DFLMGLWDRPXECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-11(2)9-17(3,19)10-18-16-14-5-12-4-13(7-14)8-15(16)6-12/h11-16,18-19H,4-10H2,1-3H3.
What are the key properties of 1-(2-adamantylamino)-2,4-dimethylpentan-2-ol?
1-(2-adamantylamino)-2,4-dimethylpentan-2-ol has a molecular weight of 265.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantylamino)-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66179718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).