1-(1-adamantyl)-N-(oxolan-2-ylmethyl)ethanamine

C17H29NO — CID 43179205

IUPAC1-(1-adamantyl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCO1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29NO/c1-12(18-11-16-3-2-4-19-16)17-8-13-5-14(9-17)7-15(6-13)10-17/h12-16,18H,2-11H2,1H3
InChIKeyMXBHETCUMOQJSY-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.36
Rot. Bonds4

About 1-(1-adamantyl)-N-(oxolan-2-ylmethyl)ethanamine

1-(1-adamantyl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 43179205) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID43179205
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-(1-adamantyl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCO1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29NO/c1-12(18-11-16-3-2-4-19-16)17-8-13-5-14(9-17)7-15(6-13)10-17/h12-16,18H,2-11H2,1H3
InChIKeyMXBHETCUMOQJSY-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(1-adamantyl)-N-(oxolan-2-ylmethyl)ethanamine (CID 43179205) is 1-(1-adamantyl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-(oxolan-2-ylmethyl)ethanamine is CC(NCC1CCCO1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is MXBHETCUMOQJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-12(18-11-16-3-2-4-19-16)17-8-13-5-14(9-17)7-15(6-13)10-17/h12-16,18H,2-11H2,1H3.
What are the key properties of 1-(1-adamantyl)-N-(oxolan-2-ylmethyl)ethanamine?
1-(1-adamantyl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 263.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 43179205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).