1-(3,5-dimethyl-1-adamantyl)-2-ethoxyethanamine

C16H29NO — CID 79986944

IUPAC1-(3,5-dimethyl-1-adamantyl)-2-ethoxyethanamine
SMILESCCOCC(N)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C16H29NO/c1-4-18-8-13(17)16-7-12-5-14(2,10-16)9-15(3,6-12)11-16/h12-13H,4-11,17H2,1-3H3
InChIKeyDMEZAQOZIKVFIX-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.35
Rot. Bonds4

About 1-(3,5-dimethyl-1-adamantyl)-2-ethoxyethanamine

1-(3,5-dimethyl-1-adamantyl)-2-ethoxyethanamine (PubChem CID 79986944) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-adamantyl)-2-ethoxyethanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-adamantyl)-2-ethoxyethanamine
PubChem CID79986944
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-(3,5-dimethyl-1-adamantyl)-2-ethoxyethanamine
SMILESCCOCC(N)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C16H29NO/c1-4-18-8-13(17)16-7-12-5-14(2,10-16)9-15(3,6-12)11-16/h12-13H,4-11,17H2,1-3H3
InChIKeyDMEZAQOZIKVFIX-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Adamantan-1-yl)-2-aminoethan-1-ol
CID 2835979
2-[(3,5-Dimethyl-1-adamantyl)oxy]ethanamine
CID 303801
(R)-2-(Adamantan-1-yl)-2-aminoethanol
CID 789781
1-(1-Adamantyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16785317
1-(1-adamantyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61756103
1-(1-adamantyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63474496
1-(1-Adamantyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275214
1-(1-adamantyl)-2-(2,2-difluoroethoxy)-N-ethylethanamine
CID 82003946
1-(1-adamantyl)-2-(2,2-difluoroethoxy)-N-methylethanamine
CID 82004959
1-(1-Adamantyl)-2-(2,2-difluoroethoxy)ethanamine
CID 82005059
N-[1-(1-adamantyl)-2-(2,2-difluoroethoxy)ethyl]propan-1-amine
CID 82006053
1-(1-Adamantyl)-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82782797

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-2-ethoxyethanamine?
The IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-2-ethoxyethanamine (CID 79986944) is 1-(3,5-dimethyl-1-adamantyl)-2-ethoxyethanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1-adamantyl)-2-ethoxyethanamine?
The canonical SMILES for 1-(3,5-dimethyl-1-adamantyl)-2-ethoxyethanamine is CCOCC(N)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 1-(3,5-dimethyl-1-adamantyl)-2-ethoxyethanamine?
The InChIKey is DMEZAQOZIKVFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-4-18-8-13(17)16-7-12-5-14(2,10-16)9-15(3,6-12)11-16/h12-13H,4-11,17H2,1-3H3.
What are the key properties of 1-(3,5-dimethyl-1-adamantyl)-2-ethoxyethanamine?
1-(3,5-dimethyl-1-adamantyl)-2-ethoxyethanamine has a molecular weight of 251.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-adamantyl)-2-ethoxyethanamine is sourced from PubChem (CID 79986944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).