1-[(3,5-dimethyl-1-adamantyl)amino]propan-2-ol

C15H27NO — CID 79997666

IUPAC1-[(3,5-dimethyl-1-adamantyl)amino]propan-2-ol
SMILESCC(O)CNC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C15H27NO/c1-11(17)7-16-15-6-12-4-13(2,9-15)8-14(3,5-12)10-15/h11-12,16-17H,4-10H2,1-3H3
InChIKeyZBJYRHOOVARHOZ-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.71
Rot. Bonds3

About 1-[(3,5-dimethyl-1-adamantyl)amino]propan-2-ol

1-[(3,5-dimethyl-1-adamantyl)amino]propan-2-ol (PubChem CID 79997666) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1-adamantyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1-adamantyl)amino]propan-2-ol
PubChem CID79997666
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-[(3,5-dimethyl-1-adamantyl)amino]propan-2-ol
SMILESCC(O)CNC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C15H27NO/c1-11(17)7-16-15-6-12-4-13(2,9-15)8-14(3,5-12)10-15/h11-12,16-17H,4-10H2,1-3H3
InChIKeyZBJYRHOOVARHOZ-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-N-(2-methylbutyl)adamantan-1-amine
CID 79999123
(3S,5R)-3,5-dimethyl-N-[(2S)-2-phenylpropyl]adamantan-1-amine
CID 41495401
(3S,5R)-3,5-dimethyl-N-[(2R)-2-phenylpropyl]adamantan-1-amine
CID 41495399
3-[(3,5-dimethyl-1-adamantyl)amino]-2-fluoropropane-1-sulfonic acid
CID 58691969
3,5-dimethyl-N-prop-2-ynyladamantan-1-amine
CID 4724203
N-(cyclopropylmethyl)-3,5-dimethyladamantan-1-amine
CID 79998469
3,5-dimethyl-N-[2-(2-methylpropoxy)ethyl]adamantan-1-amine
CID 106452215
3-chloro-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide
CID 79997650
N-(2,3-dichloroprop-2-enyl)-3,5-dimethyladamantan-1-amine
CID 79997830
(1S)-1-[4-[5-[[[(3S,5R)-3,5-dimethyl-1-adamantyl]amino]methyl]furan-2-yl]phenyl]ethanol
CID 8638925
4-[(3,5-dimethyl-1-adamantyl)amino]butanoic acid
CID 79998249
N'-tert-butyl-N-(3,5-dimethyl-1-adamantyl)ethane-1,2-diamine
CID 107445843

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1-adamantyl)amino]propan-2-ol?
The IUPAC name of 1-[(3,5-dimethyl-1-adamantyl)amino]propan-2-ol (CID 79997666) is 1-[(3,5-dimethyl-1-adamantyl)amino]propan-2-ol.
What is the SMILES notation for 1-[(3,5-dimethyl-1-adamantyl)amino]propan-2-ol?
The canonical SMILES for 1-[(3,5-dimethyl-1-adamantyl)amino]propan-2-ol is CC(O)CNC12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 1-[(3,5-dimethyl-1-adamantyl)amino]propan-2-ol?
The InChIKey is ZBJYRHOOVARHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-11(17)7-16-15-6-12-4-13(2,9-15)8-14(3,5-12)10-15/h11-12,16-17H,4-10H2,1-3H3.
What are the key properties of 1-[(3,5-dimethyl-1-adamantyl)amino]propan-2-ol?
1-[(3,5-dimethyl-1-adamantyl)amino]propan-2-ol has a molecular weight of 237.39 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1-adamantyl)amino]propan-2-ol is sourced from PubChem (CID 79997666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).