1-(2-amino-2-cyclopropylethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea

C16H24N4O — CID 167778484

IUPAC1-(2-amino-2-cyclopropylethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
SMILESNC(CNC(=O)NCC1Cc2ccccc2CN1)C1CC1
InChIInChI=1S/C16H24N4O/c17-15(11-5-6-11)10-20-16(21)19-9-14-7-12-3-1-2-4-13(12)8-18-14/h1-4,11,14-15,18H,5-10,17H2,(H2,19,20,21)
InChIKeyDHZSVMHHJAIRPS-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.74
Rot. Bonds5

About 1-(2-amino-2-cyclopropylethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea

1-(2-amino-2-cyclopropylethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea (PubChem CID 167778484) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(2-amino-2-cyclopropylethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-amino-2-cyclopropylethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
PubChem CID167778484
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-(2-amino-2-cyclopropylethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
SMILESNC(CNC(=O)NCC1Cc2ccccc2CN1)C1CC1
InChIInChI=1S/C16H24N4O/c17-15(11-5-6-11)10-20-16(21)19-9-14-7-12-3-1-2-4-13(12)8-18-14/h1-4,11,14-15,18H,5-10,17H2,(H2,19,20,21)
InChIKeyDHZSVMHHJAIRPS-UHFFFAOYSA-N
XLogP0.74
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 146512992
1-[(1R)-1-naphthalen-2-ylethyl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 135213793
1-(1H-indazol-6-ylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 146142173
2-hydroxy-N-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 158628161
N-(2-cyclopropyl-2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63297112
N-(thian-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 115733933
1-[(2R)-1-(1-benzothiophen-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 146512989
5-amino-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyrazole-3-carboxamide
CID 138030092
1-methyl-1-(2-phenylethyl)-3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]urea
CID 135214209
3-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline
CID 71381550
[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride
CID 156592430
(3S)-3-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 67709513

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-cyclopropylethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea?
The IUPAC name of 1-(2-amino-2-cyclopropylethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea (CID 167778484) is 1-(2-amino-2-cyclopropylethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea.
What is the SMILES notation for 1-(2-amino-2-cyclopropylethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea?
The canonical SMILES for 1-(2-amino-2-cyclopropylethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea is NC(CNC(=O)NCC1Cc2ccccc2CN1)C1CC1.
What is the InChIKey of 1-(2-amino-2-cyclopropylethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea?
The InChIKey is DHZSVMHHJAIRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c17-15(11-5-6-11)10-20-16(21)19-9-14-7-12-3-1-2-4-13(12)8-18-14/h1-4,11,14-15,18H,5-10,17H2,(H2,19,20,21).
What are the key properties of 1-(2-amino-2-cyclopropylethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea?
1-(2-amino-2-cyclopropylethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea has a molecular weight of 288.39 g/mol, XLogP of 0.74, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-cyclopropylethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea is sourced from PubChem (CID 167778484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).