1-(1-adamantyl)-N-(pyridin-2-ylmethyl)ethanamine;dihydrochloride

C18H28Cl2N2 — CID 163327971

IUPAC1-(1-adamantyl)-N-(pyridin-2-ylmethyl)ethanamine;dihydrochloride
SMILESCC(NCc1ccccn1)C12CC3CC(CC(C3)C1)C2.Cl.Cl
InChIInChI=1S/C18H26N2.2ClH/c1-13(20-12-17-4-2-3-5-19-17)18-9-14-6-15(10-18)8-16(7-14)11-18;;/h2-5,13-16,20H,6-12H2,1H3;2*1H
InChIKeyNCVCKCCBTKUFIA-UHFFFAOYSA-N
MW343.34 g/mol
LogP4.62
Rot. Bonds4

About 1-(1-adamantyl)-N-(pyridin-2-ylmethyl)ethanamine;dihydrochloride

1-(1-adamantyl)-N-(pyridin-2-ylmethyl)ethanamine;dihydrochloride (PubChem CID 163327971) has the molecular formula C18H28Cl2N2 and a molecular weight of 343.34 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-(pyridin-2-ylmethyl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(1-adamantyl)-N-(pyridin-2-ylmethyl)ethanamine;dihydrochloride
PubChem CID163327971
Molecular FormulaC18H28Cl2N2
Molecular Weight343.34 g/mol
Exact Mass342.16
IUPAC Name1-(1-adamantyl)-N-(pyridin-2-ylmethyl)ethanamine;dihydrochloride
SMILESCC(NCc1ccccn1)C12CC3CC(CC(C3)C1)C2.Cl.Cl
InChIInChI=1S/C18H26N2.2ClH/c1-13(20-12-17-4-2-3-5-19-17)18-9-14-6-15(10-18)8-16(7-14)11-18;;/h2-5,13-16,20H,6-12H2,1H3;2*1H
InChIKeyNCVCKCCBTKUFIA-UHFFFAOYSA-N
XLogP4.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-N-[(6-bromo-2-pyridinyl)methyl]ethanamine
CID 115937764
1-(1-methylcyclopropyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43363176
1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 18778323
(1S)-1-(1-adamantyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 27088604
1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 3148505
2-[[1-(1-adamantyl)ethylamino]methyl]aniline
CID 66387822
1-(1-adamantyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 43662250
2-(1-adamantylmethyl)pyridine
CID 584969
(1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine
CID 81391298
3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 43201494
(2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 28618020
N-[1-(1-adamantyl)ethyl]-2-chloropyridin-3-amine
CID 43690050

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-(pyridin-2-ylmethyl)ethanamine;dihydrochloride?
The IUPAC name of 1-(1-adamantyl)-N-(pyridin-2-ylmethyl)ethanamine;dihydrochloride (CID 163327971) is 1-(1-adamantyl)-N-(pyridin-2-ylmethyl)ethanamine;dihydrochloride.
What is the SMILES notation for 1-(1-adamantyl)-N-(pyridin-2-ylmethyl)ethanamine;dihydrochloride?
The canonical SMILES for 1-(1-adamantyl)-N-(pyridin-2-ylmethyl)ethanamine;dihydrochloride is CC(NCc1ccccn1)C12CC3CC(CC(C3)C1)C2.Cl.Cl.
What is the InChIKey of 1-(1-adamantyl)-N-(pyridin-2-ylmethyl)ethanamine;dihydrochloride?
The InChIKey is NCVCKCCBTKUFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2.2ClH/c1-13(20-12-17-4-2-3-5-19-17)18-9-14-6-15(10-18)8-16(7-14)11-18;;/h2-5,13-16,20H,6-12H2,1H3;2*1H.
What are the key properties of 1-(1-adamantyl)-N-(pyridin-2-ylmethyl)ethanamine;dihydrochloride?
1-(1-adamantyl)-N-(pyridin-2-ylmethyl)ethanamine;dihydrochloride has a molecular weight of 343.34 g/mol, XLogP of 4.62, 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-(pyridin-2-ylmethyl)ethanamine;dihydrochloride is sourced from PubChem (CID 163327971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).