N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C18H28N2 — CID 106603480

IUPACN-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCN(CC1CCCN1)C1CCC(C)c2ccccc21
InChIInChI=1S/C18H28N2/c1-3-20(13-15-7-6-12-19-15)18-11-10-14(2)16-8-4-5-9-17(16)18/h4-5,8-9,14-15,18-19H,3,6-7,10-13H2,1-2H3
InChIKeyFHSVGPDYWRWDRH-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.70
Rot. Bonds4

About N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 106603480) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID106603480
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCN(CC1CCCN1)C1CCC(C)c2ccccc21
InChIInChI=1S/C18H28N2/c1-3-20(13-15-7-6-12-19-15)18-11-10-14(2)16-8-4-5-9-17(16)18/h4-5,8-9,14-15,18-19H,3,6-7,10-13H2,1-2H3
InChIKeyFHSVGPDYWRWDRH-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106603015
N-ethyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106622668
N-ethyl-7-methoxy-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106603727
4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 106604082
N-ethyl-N-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 106622760
N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 28598067
2-[2,3-dihydro-1H-inden-1-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606505
N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 102819482
N-(piperidin-2-ylmethyl)-N-propyl-3,4-dihydro-1H-isochromen-4-amine
CID 107150035
N-(azocan-2-ylmethyl)-N-ethylaniline
CID 114240324
N-methyl-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106618496
N-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azepan-4-amine
CID 107172050

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 106603480) is N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CCN(CC1CCCN1)C1CCC(C)c2ccccc21.
What is the InChIKey of N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is FHSVGPDYWRWDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-20(13-15-7-6-12-19-15)18-11-10-14(2)16-8-4-5-9-17(16)18/h4-5,8-9,14-15,18-19H,3,6-7,10-13H2,1-2H3.
What are the key properties of N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 106603480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).