N-[(6-methoxy-3-pyridinyl)methyl]adamantan-1-amine

C17H24N2O — CID 114936254

IUPACN-[(6-methoxy-3-pyridinyl)methyl]adamantan-1-amine
SMILESCOc1ccc(CNC23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C17H24N2O/c1-20-16-3-2-12(10-18-16)11-19-17-7-13-4-14(8-17)6-15(5-13)9-17/h2-3,10,13-15,19H,4-9,11H2,1H3
InChIKeyHYIMIKXADILGEB-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.15
Rot. Bonds4

About N-[(6-methoxy-3-pyridinyl)methyl]adamantan-1-amine

N-[(6-methoxy-3-pyridinyl)methyl]adamantan-1-amine (PubChem CID 114936254) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]adamantan-1-amine
PubChem CID114936254
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]adamantan-1-amine
SMILESCOc1ccc(CNC23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C17H24N2O/c1-20-16-3-2-12(10-18-16)11-19-17-7-13-4-14(8-17)6-15(5-13)9-17/h2-3,10,13-15,19H,4-9,11H2,1H3
InChIKeyHYIMIKXADILGEB-UHFFFAOYSA-N
XLogP3.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine
CID 114936732
N-cyclopentyloxy-1-(6-methoxy-3-pyridinyl)methanamine
CID 114936879
N-ethoxy-1-(6-methoxy-3-pyridinyl)methanamine
CID 115685988
N-(pyrimidin-5-ylmethyl)adamantan-1-amine
CID 62758937
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 42930455
N-[(6-methoxy-3-pyridinyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903736
3-[(6-methoxy-3-pyridinyl)methylamino]piperidine-2,6-dione
CID 114936796
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 82239647
1-[[(6-methoxy-3-pyridinyl)methylamino]methyl]cyclobutan-1-ol
CID 114936941
1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 115685934
N-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide
CID 139007117

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]adamantan-1-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]adamantan-1-amine (CID 114936254) is N-[(6-methoxy-3-pyridinyl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]adamantan-1-amine is COc1ccc(CNC23CC4CC(CC(C4)C2)C3)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]adamantan-1-amine?
The InChIKey is HYIMIKXADILGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-20-16-3-2-12(10-18-16)11-19-17-7-13-4-14(8-17)6-15(5-13)9-17/h2-3,10,13-15,19H,4-9,11H2,1H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]adamantan-1-amine?
N-[(6-methoxy-3-pyridinyl)methyl]adamantan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]adamantan-1-amine is sourced from PubChem (CID 114936254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).