3-[1-(1-adamantyl)ethylamino]butan-1-ol

C16H29NO — CID 83176774

IUPAC3-[1-(1-adamantyl)ethylamino]butan-1-ol
SMILESCC(CCO)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H29NO/c1-11(3-4-18)17-12(2)16-8-13-5-14(9-16)7-15(6-13)10-16/h11-15,17-18H,3-10H2,1-2H3
InChIKeyWPUDXHYIZYLRDR-UHFFFAOYSA-N
MW251.41 g/mol
LogP2.95
Rot. Bonds5

About 3-[1-(1-adamantyl)ethylamino]butan-1-ol

3-[1-(1-adamantyl)ethylamino]butan-1-ol (PubChem CID 83176774) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 3-[1-(1-adamantyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name3-[1-(1-adamantyl)ethylamino]butan-1-ol
PubChem CID83176774
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name3-[1-(1-adamantyl)ethylamino]butan-1-ol
SMILESCC(CCO)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H29NO/c1-11(3-4-18)17-12(2)16-8-13-5-14(9-16)7-15(6-13)10-16/h11-15,17-18H,3-10H2,1-2H3
InChIKeyWPUDXHYIZYLRDR-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-adamantyl)ethyl]hexan-2-amine
CID 43757554
2-[1-(1-adamantyl)ethylamino]propanoic acid
CID 54959577
3-[1-(1-adamantyl)ethylamino]-N'-hydroxybutanimidamide
CID 77026048
N-[1-(1-adamantyl)ethyl]hexan-3-amine
CID 55193331
(5R,7R)-3-[(1R)-1-[[(2R)-5-methylhex-5-en-2-yl]amino]ethyl]adamantan-1-ol
CID 129418828
(2R)-2-[[(1R)-1-(1-adamantyl)ethyl]amino]-N-methylpropanamide
CID 9372884
1-(1-adamantyl)ethylhydrazine
CID 23008707
2-(1-adamantyl)propan-1-ol
CID 23623999
N-[1-(1-adamantyl)ethyl]-4-methylpentanamide
CID 112789585
3-[1-(1-adamantyl)ethylamino]pentanenitrile
CID 43368094
N-[1-(1-adamantyl)ethyl]-2-aminoacetamide;hydrochloride
CID 119263793
(1S)-N-[1-(1-adamantyl)ethyl]-1-(furan-2-yl)ethanamine
CID 81391467

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-adamantyl)ethylamino]butan-1-ol?
The IUPAC name of 3-[1-(1-adamantyl)ethylamino]butan-1-ol (CID 83176774) is 3-[1-(1-adamantyl)ethylamino]butan-1-ol.
What is the SMILES notation for 3-[1-(1-adamantyl)ethylamino]butan-1-ol?
The canonical SMILES for 3-[1-(1-adamantyl)ethylamino]butan-1-ol is CC(CCO)NC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-[1-(1-adamantyl)ethylamino]butan-1-ol?
The InChIKey is WPUDXHYIZYLRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-11(3-4-18)17-12(2)16-8-13-5-14(9-16)7-15(6-13)10-16/h11-15,17-18H,3-10H2,1-2H3.
What are the key properties of 3-[1-(1-adamantyl)ethylamino]butan-1-ol?
3-[1-(1-adamantyl)ethylamino]butan-1-ol has a molecular weight of 251.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-adamantyl)ethylamino]butan-1-ol is sourced from PubChem (CID 83176774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).