1-(cyclohexylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea

C17H25N3O — CID 66936252

IUPAC1-(cyclohexylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
SMILESO=C(NCC1CCCCC1)Nc1ccc2c(c1)CCNC2
InChIInChI=1S/C17H25N3O/c21-17(19-11-13-4-2-1-3-5-13)20-16-7-6-15-12-18-9-8-14(15)10-16/h6-7,10,13,18H,1-5,8-9,11-12H2,(H2,19,20,21)
InChIKeyHTGWTWJRTXZJCP-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.03
Rot. Bonds3

About 1-(cyclohexylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea

1-(cyclohexylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea (PubChem CID 66936252) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
PubChem CID66936252
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(cyclohexylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
SMILESO=C(NCC1CCCCC1)Nc1ccc2c(c1)CCNC2
InChIInChI=1S/C17H25N3O/c21-17(19-11-13-4-2-1-3-5-13)20-16-7-6-15-12-18-9-8-14(15)10-16/h6-7,10,13,18H,1-5,8-9,11-12H2,(H2,19,20,21)
InChIKeyHTGWTWJRTXZJCP-UHFFFAOYSA-N
XLogP3.03
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
CID 63901315
1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea
CID 108902801
1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
CID 66935877
1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea
CID 5235617
tert-butyl 6-(cyclohexylmethylcarbamoylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 66935732
1-butyl-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901957
1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108902937
1-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 66935505
2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid
CID 61197827
1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901955
1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea
CID 46494092
1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea?
The IUPAC name of 1-(cyclohexylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea (CID 66936252) is 1-(cyclohexylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea?
The canonical SMILES for 1-(cyclohexylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea is O=C(NCC1CCCCC1)Nc1ccc2c(c1)CCNC2.
What is the InChIKey of 1-(cyclohexylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea?
The InChIKey is HTGWTWJRTXZJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(19-11-13-4-2-1-3-5-13)20-16-7-6-15-12-18-9-8-14(15)10-16/h6-7,10,13,18H,1-5,8-9,11-12H2,(H2,19,20,21).
What are the key properties of 1-(cyclohexylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea?
1-(cyclohexylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea has a molecular weight of 287.41 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea is sourced from PubChem (CID 66936252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).