1-(2-aminoethyl)-3-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)urea

C15H23N3O — CID 167265865

IUPAC1-(2-aminoethyl)-3-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)urea
SMILESCC1(C)CCC(NC(=O)NCCN)c2ccccc21
InChIInChI=1S/C15H23N3O/c1-15(2)8-7-13(18-14(19)17-10-9-16)11-5-3-4-6-12(11)15/h3-6,13H,7-10,16H2,1-2H3,(H2,17,18,19)
InChIKeyQHRGOXUYOSMCPS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.06
Rot. Bonds3

About 1-(2-aminoethyl)-3-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)urea

1-(2-aminoethyl)-3-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)urea (PubChem CID 167265865) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)urea
PubChem CID167265865
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(2-aminoethyl)-3-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)urea
SMILESCC1(C)CCC(NC(=O)NCCN)c2ccccc21
InChIInChI=1S/C15H23N3O/c1-15(2)8-7-13(18-14(19)17-10-9-16)11-5-3-4-6-12(11)15/h3-6,13H,7-10,16H2,1-2H3,(H2,17,18,19)
InChIKeyQHRGOXUYOSMCPS-UHFFFAOYSA-N
XLogP2.06
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)urea?
The IUPAC name of 1-(2-aminoethyl)-3-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)urea (CID 167265865) is 1-(2-aminoethyl)-3-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)urea.
What is the SMILES notation for 1-(2-aminoethyl)-3-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)urea?
The canonical SMILES for 1-(2-aminoethyl)-3-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)urea is CC1(C)CCC(NC(=O)NCCN)c2ccccc21.
What is the InChIKey of 1-(2-aminoethyl)-3-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)urea?
The InChIKey is QHRGOXUYOSMCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2)8-7-13(18-14(19)17-10-9-16)11-5-3-4-6-12(11)15/h3-6,13H,7-10,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2-aminoethyl)-3-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)urea?
1-(2-aminoethyl)-3-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)urea has a molecular weight of 261.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)urea is sourced from PubChem (CID 167265865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).