N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine

C19H30N2 — CID 63772800

IUPACN-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(CC2CCCc3ccccc32)CC1
InChIInChI=1S/C19H30N2/c1-2-20-14-16-10-12-21(13-11-16)15-18-8-5-7-17-6-3-4-9-19(17)18/h3-4,6,9,16,18,20H,2,5,7-8,10-15H2,1H3
InChIKeyLKEZEBQNELGYLI-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.43
Rot. Bonds5

About N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine

N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine (PubChem CID 63772800) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine
PubChem CID63772800
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(CC2CCCc3ccccc32)CC1
InChIInChI=1S/C19H30N2/c1-2-20-14-16-10-12-21(13-11-16)15-18-8-5-7-17-6-3-4-9-19(17)18/h3-4,6,9,16,18,20H,2,5,7-8,10-15H2,1H3
InChIKeyLKEZEBQNELGYLI-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methanol
CID 55242278
N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 63772288
N-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 66409309
N-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]ethanamine
CID 63854126
[4-(ethylaminomethyl)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119647672
1-(2-bromoethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 80678906
3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine
CID 63771318
1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane
CID 63772764
1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine
CID 63773492
1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine
CID 106123359
N-[(1-methylpyrrolidin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106025341

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine (CID 63772800) is N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(CC2CCCc3ccccc32)CC1.
What is the InChIKey of N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is LKEZEBQNELGYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-20-14-16-10-12-21(13-11-16)15-18-8-5-7-17-6-3-4-9-19(17)18/h3-4,6,9,16,18,20H,2,5,7-8,10-15H2,1H3.
What are the key properties of N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine?
N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 286.46 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 63772800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).