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

C18H26N2 — CID 3148505

IUPAC1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCC(NCc1cccnc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26N2/c1-13(20-12-14-3-2-4-19-11-14)18-8-15-5-16(9-18)7-17(6-15)10-18/h2-4,11,13,15-17,20H,5-10,12H2,1H3
InChIKeyKJVLVVDSJRPNIS-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.78
Rot. Bonds4

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

1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 3148505) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID3148505
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCC(NCc1cccnc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26N2/c1-13(20-12-14-3-2-4-19-11-14)18-8-15-5-16(9-18)7-17(6-15)10-18/h2-4,11,13,15-17,20H,5-10,12H2,1H3
InChIKeyKJVLVVDSJRPNIS-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 18778323
1-(1-adamantyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 43662250
(1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine
CID 81384480
1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea
CID 108870288
(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 104868129
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035
5-methyl-N-(pyridin-3-ylmethyl)heptan-3-amine
CID 43204922
4-chloro-N-(pyridin-3-ylmethyl)butan-2-amine
CID 83187736
(1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 93283678
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
1-(1-adamantyl)-N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 4566164
N-(pyridin-3-ylmethyl)heptan-4-amine
CID 28671703

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine (CID 3148505) is 1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine is CC(NCc1cccnc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is KJVLVVDSJRPNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-13(20-12-14-3-2-4-19-11-14)18-8-15-5-16(9-18)7-17(6-15)10-18/h2-4,11,13,15-17,20H,5-10,12H2,1H3.
What are the key properties of 1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine?
1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 270.42 g/mol, XLogP of 3.78, 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-3-ylmethyl)ethanamine is sourced from PubChem (CID 3148505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).