2-(1-adamantyloxy)-N-methylethanamine;hydrochloride

C13H24ClNO — CID 2975551

IUPAC2-(1-adamantyloxy)-N-methylethanamine;hydrochloride
SMILESCNCCOC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C13H23NO.ClH/c1-14-2-3-15-13-7-10-4-11(8-13)6-12(5-10)9-13;/h10-12,14H,2-9H2,1H3;1H
InChIKeyFVUWOOBTQABQHC-UHFFFAOYSA-N
MW245.79 g/mol
LogP2.61
Rot. Bonds4

About 2-(1-adamantyloxy)-N-methylethanamine;hydrochloride

2-(1-adamantyloxy)-N-methylethanamine;hydrochloride (PubChem CID 2975551) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 2-(1-adamantyloxy)-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1-adamantyloxy)-N-methylethanamine;hydrochloride
PubChem CID2975551
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name2-(1-adamantyloxy)-N-methylethanamine;hydrochloride
SMILESCNCCOC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C13H23NO.ClH/c1-14-2-3-15-13-7-10-4-11(8-13)6-12(5-10)9-13;/h10-12,14H,2-9H2,1H3;1H
InChIKeyFVUWOOBTQABQHC-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromoethoxy)adamantane
CID 2379498
2-(1-adamantyloxy)ethyl-methylazanium
CID 7321805
1-(butoxymethoxy)adamantane
CID 11310968
N'-[2-(1-adamantyl)ethyl]-N-methylethane-1,2-diamine
CID 69239125
N-[2-(1-adamantyloxy)ethyl]-6-fluoropyridin-3-amine
CID 177426106
2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 90013927
2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 90013877
4-(1-adamantyloxy)butyl acetate
CID 134839652
N-[2-(1-adamantyloxy)ethyl]-2-methylsulfanylbenzamide
CID 3767855
1-[2-(1-adamantyloxy)ethyl]pyrrole
CID 4918979
1-methoxyadamantane
CID 584854
1-prop-2-ynoxyadamantane
CID 10420045

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyloxy)-N-methylethanamine;hydrochloride?
The IUPAC name of 2-(1-adamantyloxy)-N-methylethanamine;hydrochloride (CID 2975551) is 2-(1-adamantyloxy)-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-(1-adamantyloxy)-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-(1-adamantyloxy)-N-methylethanamine;hydrochloride is CNCCOC12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 2-(1-adamantyloxy)-N-methylethanamine;hydrochloride?
The InChIKey is FVUWOOBTQABQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.ClH/c1-14-2-3-15-13-7-10-4-11(8-13)6-12(5-10)9-13;/h10-12,14H,2-9H2,1H3;1H.
What are the key properties of 2-(1-adamantyloxy)-N-methylethanamine;hydrochloride?
2-(1-adamantyloxy)-N-methylethanamine;hydrochloride has a molecular weight of 245.79 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyloxy)-N-methylethanamine;hydrochloride is sourced from PubChem (CID 2975551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).