1-[2-(diethylamino)ethylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid

C17H26N2O2 — CID 60993938

IUPAC1-[2-(diethylamino)ethylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCCN(CC)CCNC1(C(=O)O)CCCc2ccccc21
InChIInChI=1S/C17H26N2O2/c1-3-19(4-2)13-12-18-17(16(20)21)11-7-9-14-8-5-6-10-15(14)17/h5-6,8,10,18H,3-4,7,9,11-13H2,1-2H3,(H,20,21)
InChIKeyKGRWQEHMTXXMHT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.23
Rot. Bonds7

About 1-[2-(diethylamino)ethylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid

1-[2-(diethylamino)ethylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 60993938) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(diethylamino)ethylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID60993938
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[2-(diethylamino)ethylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCCN(CC)CCNC1(C(=O)O)CCCc2ccccc21
InChIInChI=1S/C17H26N2O2/c1-3-19(4-2)13-12-18-17(16(20)21)11-7-9-14-8-5-6-10-15(14)17/h5-6,8,10,18H,3-4,7,9,11-13H2,1-2H3,(H,20,21)
InChIKeyKGRWQEHMTXXMHT-UHFFFAOYSA-N
XLogP2.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol
CID 61049623
N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-diethylethane-1,2-diamine
CID 65383772
1-[2-(diethylamino)ethylamino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 116531279
2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carboxamide
CID 61005096
5-(thiophen-2-ylmethylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 61001699
1-(propylamino)-2,3-dihydroindene-1-carboxamide
CID 60796921
2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate
CID 23295003
1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid
CID 62389636
methyl 1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 54895148
methyl 1-(2-azidoethylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 66191017
1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxylic acid
CID 60992597
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine
CID 68815054

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 1-[2-(diethylamino)ethylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 60993938) is 1-[2-(diethylamino)ethylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 1-[2-(diethylamino)ethylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 1-[2-(diethylamino)ethylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid is CCN(CC)CCNC1(C(=O)O)CCCc2ccccc21.
What is the InChIKey of 1-[2-(diethylamino)ethylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is KGRWQEHMTXXMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-19(4-2)13-12-18-17(16(20)21)11-7-9-14-8-5-6-10-15(14)17/h5-6,8,10,18H,3-4,7,9,11-13H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-(diethylamino)ethylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
1-[2-(diethylamino)ethylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 290.41 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 60993938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).