N-[(2-methylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine

C18H23N3 — CID 61015757

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
SMILESCc1nccc(CNC(C)c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C18H23N3/c1-13(20-12-18-9-10-19-14(2)21-18)16-8-7-15-5-3-4-6-17(15)11-16/h7-11,13,20H,3-6,12H2,1-2H3
InChIKeyLEIOVTDHCZPOPJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.51
Rot. Bonds4

About N-[(2-methylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine

N-[(2-methylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine (PubChem CID 61015757) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
PubChem CID61015757
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
SMILESCc1nccc(CNC(C)c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C18H23N3/c1-13(20-12-18-9-10-19-14(2)21-18)16-8-7-15-5-3-4-6-17(15)11-16/h7-11,13,20H,3-6,12H2,1-2H3
InChIKeyLEIOVTDHCZPOPJ-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 60695990
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305868
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079
1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 54885064
1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 61281399
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 62748591
N-[(4-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43079812
N-(furan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 62999731
1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786274
1-(2,3-dihydro-1H-inden-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913382
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 65246342
N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diamine
CID 60889722

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine (CID 61015757) is N-[(2-methylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine is Cc1nccc(CNC(C)c2ccc3c(c2)CCCC3)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The InChIKey is LEIOVTDHCZPOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13(20-12-18-9-10-19-14(2)21-18)16-8-7-15-5-3-4-6-17(15)11-16/h7-11,13,20H,3-6,12H2,1-2H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
N-[(2-methylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine is sourced from PubChem (CID 61015757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).