2-(1-adamantyl)-N-ethyl-1-(oxan-3-yl)ethanamine

C19H33NO — CID 107139110

IUPAC2-(1-adamantyl)-N-ethyl-1-(oxan-3-yl)ethanamine
SMILESCCNC(CC12CC3CC(CC(C3)C1)C2)C1CCCOC1
InChIInChI=1S/C19H33NO/c1-2-20-18(17-4-3-5-21-13-17)12-19-9-14-6-15(10-19)8-16(7-14)11-19/h14-18,20H,2-13H2,1H3
InChIKeyZYPDEJBFOOJIFR-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.00
Rot. Bonds5

About 2-(1-adamantyl)-N-ethyl-1-(oxan-3-yl)ethanamine

2-(1-adamantyl)-N-ethyl-1-(oxan-3-yl)ethanamine (PubChem CID 107139110) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-ethyl-1-(oxan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-adamantyl)-N-ethyl-1-(oxan-3-yl)ethanamine
PubChem CID107139110
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-(1-adamantyl)-N-ethyl-1-(oxan-3-yl)ethanamine
SMILESCCNC(CC12CC3CC(CC(C3)C1)C2)C1CCCOC1
InChIInChI=1S/C19H33NO/c1-2-20-18(17-4-3-5-21-13-17)12-19-9-14-6-15(10-19)8-16(7-14)11-19/h14-18,20H,2-13H2,1H3
InChIKeyZYPDEJBFOOJIFR-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylamino)-3-(oxan-3-yl)propan-1-ol
CID 65239845
N-ethyl-1-(oxan-3-yl)pentan-1-amine
CID 65331760
N-ethyl-1-(oxan-3-yl)-2-(oxan-4-yl)ethanamine
CID 65331868
3-ethoxy-N-ethyl-1-(oxan-3-yl)propan-1-amine
CID 107137018
N-ethyl-3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine
CID 107138800
N-ethyl-1-(oxan-3-yl)-3-propoxypropan-1-amine
CID 107138944
2-(ethylamino)-2-(oxan-3-yl)acetonitrile
CID 63741653
2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine
CID 63015076
3-pentan-3-yloxane
CID 15620798
N-[1,9-dioxaspiro[5.5]undecan-4-yl(oxan-3-yl)methyl]ethanamine
CID 79910522
N-ethyl-1-(oxolan-3-yl)pentan-1-amine
CID 65330630
N-ethyl-1-(oxolan-3-yl)-2-(thian-4-yl)ethanamine
CID 105147710

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-ethyl-1-(oxan-3-yl)ethanamine?
The IUPAC name of 2-(1-adamantyl)-N-ethyl-1-(oxan-3-yl)ethanamine (CID 107139110) is 2-(1-adamantyl)-N-ethyl-1-(oxan-3-yl)ethanamine.
What is the SMILES notation for 2-(1-adamantyl)-N-ethyl-1-(oxan-3-yl)ethanamine?
The canonical SMILES for 2-(1-adamantyl)-N-ethyl-1-(oxan-3-yl)ethanamine is CCNC(CC12CC3CC(CC(C3)C1)C2)C1CCCOC1.
What is the InChIKey of 2-(1-adamantyl)-N-ethyl-1-(oxan-3-yl)ethanamine?
The InChIKey is ZYPDEJBFOOJIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-2-20-18(17-4-3-5-21-13-17)12-19-9-14-6-15(10-19)8-16(7-14)11-19/h14-18,20H,2-13H2,1H3.
What are the key properties of 2-(1-adamantyl)-N-ethyl-1-(oxan-3-yl)ethanamine?
2-(1-adamantyl)-N-ethyl-1-(oxan-3-yl)ethanamine has a molecular weight of 291.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-ethyl-1-(oxan-3-yl)ethanamine is sourced from PubChem (CID 107139110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).