N-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine

C18H28N2 — CID 43307588

IUPACN-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCC(Nc1cccc2c1CCCC2)C1CCCN(C)C1
InChIInChI=1S/C18H28N2/c1-14(16-9-6-12-20(2)13-16)19-18-11-5-8-15-7-3-4-10-17(15)18/h5,8,11,14,16,19H,3-4,6-7,9-10,12-13H2,1-2H3
InChIKeyCNMLBLVNGYMOAC-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.71
Rot. Bonds3

About N-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine

N-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 43307588) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID43307588
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCC(Nc1cccc2c1CCCC2)C1CCCN(C)C1
InChIInChI=1S/C18H28N2/c1-14(16-9-6-12-20(2)13-16)19-18-11-5-8-15-7-3-4-10-17(15)18/h5,8,11,14,16,19H,3-4,6-7,9-10,12-13H2,1-2H3
InChIKeyCNMLBLVNGYMOAC-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azepan-4-amine
CID 65071434
2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile
CID 43307860
3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 113368981
N-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 62655412
2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43750067
N-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine
CID 43681268
2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
CID 43741661
methyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate
CID 43308775
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline
CID 43702094
3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43307884
2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308733
4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308680

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine (CID 43307588) is N-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine is CC(Nc1cccc2c1CCCC2)C1CCCN(C)C1.
What is the InChIKey of N-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is CNMLBLVNGYMOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14(16-9-6-12-20(2)13-16)19-18-11-5-8-15-7-3-4-10-17(15)18/h5,8,11,14,16,19H,3-4,6-7,9-10,12-13H2,1-2H3.
What are the key properties of N-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
N-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43307588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).