N-[2-[4-[2-(diethylamino)ethyl]piperidin-1-yl]ethyl]naphthalen-1-amine

C23H35N3 — CID 154096331

IUPACN-[2-[4-[2-(diethylamino)ethyl]piperidin-1-yl]ethyl]naphthalen-1-amine
SMILESCCN(CC)CCC1CCN(CCNc2cccc3ccccc23)CC1
InChIInChI=1S/C23H35N3/c1-3-25(4-2)16-12-20-13-17-26(18-14-20)19-15-24-23-11-7-9-21-8-5-6-10-22(21)23/h5-11,20,24H,3-4,12-19H2,1-2H3
InChIKeySZIQOMOGNASVNJ-UHFFFAOYSA-N
MW353.55 g/mol
LogP4.70
Rot. Bonds9

About N-[2-[4-[2-(diethylamino)ethyl]piperidin-1-yl]ethyl]naphthalen-1-amine

N-[2-[4-[2-(diethylamino)ethyl]piperidin-1-yl]ethyl]naphthalen-1-amine (PubChem CID 154096331) has the molecular formula C23H35N3 and a molecular weight of 353.55 g/mol. Its IUPAC name is N-[2-[4-[2-(diethylamino)ethyl]piperidin-1-yl]ethyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[2-[4-[2-(diethylamino)ethyl]piperidin-1-yl]ethyl]naphthalen-1-amine
PubChem CID154096331
Molecular FormulaC23H35N3
Molecular Weight353.55 g/mol
Exact Mass353.28
IUPAC NameN-[2-[4-[2-(diethylamino)ethyl]piperidin-1-yl]ethyl]naphthalen-1-amine
SMILESCCN(CC)CCC1CCN(CCNc2cccc3ccccc23)CC1
InChIInChI=1S/C23H35N3/c1-3-25(4-2)16-12-20-13-17-26(18-14-20)19-15-24-23-11-7-9-21-8-5-6-10-22(21)23/h5-11,20,24H,3-4,12-19H2,1-2H3
InChIKeySZIQOMOGNASVNJ-UHFFFAOYSA-N
XLogP4.70
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Phenyl-1-naphthylamine
CID 7013
Nomifensine
CID 4528
Proton sponge
CID 88675
N-1-Naphthylethylenediamine dihydrochloride
CID 15106
N-(1-Naphthyl)ethylenediamine
CID 15107
N,N'-Di-o-tolylethylenediamine
CID 66759
Sudan Red 7B
CID 61396
1-(Naphthalen-2-yl)piperazine
CID 2760172
1-(1-Naphthyl)piperazine hydrochloride
CID 2737391
1-(1-Naphthyl)piperazine
CID 1342
(S)-Nomifensine
CID 55993
(+)-Nomifensine
CID 12884652

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(diethylamino)ethyl]piperidin-1-yl]ethyl]naphthalen-1-amine?
The IUPAC name of N-[2-[4-[2-(diethylamino)ethyl]piperidin-1-yl]ethyl]naphthalen-1-amine (CID 154096331) is N-[2-[4-[2-(diethylamino)ethyl]piperidin-1-yl]ethyl]naphthalen-1-amine.
What is the SMILES notation for N-[2-[4-[2-(diethylamino)ethyl]piperidin-1-yl]ethyl]naphthalen-1-amine?
The canonical SMILES for N-[2-[4-[2-(diethylamino)ethyl]piperidin-1-yl]ethyl]naphthalen-1-amine is CCN(CC)CCC1CCN(CCNc2cccc3ccccc23)CC1.
What is the InChIKey of N-[2-[4-[2-(diethylamino)ethyl]piperidin-1-yl]ethyl]naphthalen-1-amine?
The InChIKey is SZIQOMOGNASVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3/c1-3-25(4-2)16-12-20-13-17-26(18-14-20)19-15-24-23-11-7-9-21-8-5-6-10-22(21)23/h5-11,20,24H,3-4,12-19H2,1-2H3.
What are the key properties of N-[2-[4-[2-(diethylamino)ethyl]piperidin-1-yl]ethyl]naphthalen-1-amine?
N-[2-[4-[2-(diethylamino)ethyl]piperidin-1-yl]ethyl]naphthalen-1-amine has a molecular weight of 353.55 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(diethylamino)ethyl]piperidin-1-yl]ethyl]naphthalen-1-amine is sourced from PubChem (CID 154096331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).