1-(1-adamantyl)-N-(oxolan-3-ylmethyl)ethanamine

C17H29NO — CID 43191196

IUPAC1-(1-adamantyl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCOC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29NO/c1-12(18-10-13-2-3-19-11-13)17-7-14-4-15(8-17)6-16(5-14)9-17/h12-16,18H,2-11H2,1H3
InChIKeyLUEOCKIAJLITEY-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.22
Rot. Bonds4

About 1-(1-adamantyl)-N-(oxolan-3-ylmethyl)ethanamine

1-(1-adamantyl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 43191196) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID43191196
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-(1-adamantyl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCOC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29NO/c1-12(18-10-13-2-3-19-11-13)17-7-14-4-15(8-17)6-16(5-14)9-17/h12-16,18H,2-11H2,1H3
InChIKeyLUEOCKIAJLITEY-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63462111
1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine
CID 134457089
N-(oxolan-3-ylmethyl)but-3-en-2-amine
CID 115887872
1-(1-methylcyclopropyl)-N-(oxan-3-ylmethyl)ethanamine
CID 61020377
1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60919899
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 79236450
1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43202343
(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406305
1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 115776721
1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43674130
N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560137
N-[1-(1-adamantyl)ethyl]morpholin-4-amine
CID 83008913

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 1-(1-adamantyl)-N-(oxolan-3-ylmethyl)ethanamine (CID 43191196) is 1-(1-adamantyl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-(oxolan-3-ylmethyl)ethanamine is CC(NCC1CCOC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is LUEOCKIAJLITEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-12(18-10-13-2-3-19-11-13)17-7-14-4-15(8-17)6-16(5-14)9-17/h12-16,18H,2-11H2,1H3.
What are the key properties of 1-(1-adamantyl)-N-(oxolan-3-ylmethyl)ethanamine?
1-(1-adamantyl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 263.42 g/mol, XLogP of 3.22, 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-3-ylmethyl)ethanamine is sourced from PubChem (CID 43191196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).