N-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine

C17H23N3 — CID 60695962

IUPACN-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
SMILESCC(NCCn1ccnc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H23N3/c1-14(19-9-11-20-10-8-18-13-20)16-7-6-15-4-2-3-5-17(15)12-16/h6-8,10,12-14,19H,2-5,9,11H2,1H3
InChIKeyWSEDGUOKHFOYRM-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.11
Rot. Bonds5

About N-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine

N-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine (PubChem CID 60695962) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
PubChem CID60695962
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
SMILESCC(NCCn1ccnc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H23N3/c1-14(19-9-11-20-10-8-18-13-20)16-7-6-15-4-2-3-5-17(15)12-16/h6-8,10,12-14,19H,2-5,9,11H2,1H3
InChIKeyWSEDGUOKHFOYRM-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61324694
1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61323866
N-(2-propan-2-yloxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 115574841
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079
N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diamine
CID 60889722
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanenitrile
CID 43207724
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine
CID 54961387
6-[1-(2-imidazol-1-ylethylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 61323673
N-(2-methylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 113261699
1-[4-[(1S)-1-(3-imidazol-1-ylpropylamino)ethyl]phenyl]pyrrolidin-2-one
CID 97228964
(2R)-1-pyrazol-1-yl-3-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propan-2-ol
CID 124613392
(2S)-1-pyrazol-1-yl-3-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propan-2-ol
CID 124613389

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine (CID 60695962) is N-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine is CC(NCCn1ccnc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The InChIKey is WSEDGUOKHFOYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-14(19-9-11-20-10-8-18-13-20)16-7-6-15-4-2-3-5-17(15)12-16/h6-8,10,12-14,19H,2-5,9,11H2,1H3.
What are the key properties of N-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
N-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine is sourced from PubChem (CID 60695962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).