1-[4-(aminomethyl)phenyl]-3-[[1-(dimethylamino)cyclobutyl]methyl]urea

C15H24N4O — CID 105419458

IUPAC1-[4-(aminomethyl)phenyl]-3-[[1-(dimethylamino)cyclobutyl]methyl]urea
SMILESCN(C)C1(CNC(=O)Nc2ccc(CN)cc2)CCC1
InChIInChI=1S/C15H24N4O/c1-19(2)15(8-3-9-15)11-17-14(20)18-13-6-4-12(10-16)5-7-13/h4-7H,3,8-11,16H2,1-2H3,(H2,17,18,20)
InChIKeySGNQNWGDWGIGAO-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.75
Rot. Bonds5

About 1-[4-(aminomethyl)phenyl]-3-[[1-(dimethylamino)cyclobutyl]methyl]urea

1-[4-(aminomethyl)phenyl]-3-[[1-(dimethylamino)cyclobutyl]methyl]urea (PubChem CID 105419458) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-3-[[1-(dimethylamino)cyclobutyl]methyl]urea.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-3-[[1-(dimethylamino)cyclobutyl]methyl]urea
PubChem CID105419458
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[4-(aminomethyl)phenyl]-3-[[1-(dimethylamino)cyclobutyl]methyl]urea
SMILESCN(C)C1(CNC(=O)Nc2ccc(CN)cc2)CCC1
InChIInChI=1S/C15H24N4O/c1-19(2)15(8-3-9-15)11-17-14(20)18-13-6-4-12(10-16)5-7-13/h4-7H,3,8-11,16H2,1-2H3,(H2,17,18,20)
InChIKeySGNQNWGDWGIGAO-UHFFFAOYSA-N
XLogP1.75
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-3-[[1-(dimethylamino)cyclobutyl]methyl]urea?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-3-[[1-(dimethylamino)cyclobutyl]methyl]urea (CID 105419458) is 1-[4-(aminomethyl)phenyl]-3-[[1-(dimethylamino)cyclobutyl]methyl]urea.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-3-[[1-(dimethylamino)cyclobutyl]methyl]urea?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-3-[[1-(dimethylamino)cyclobutyl]methyl]urea is CN(C)C1(CNC(=O)Nc2ccc(CN)cc2)CCC1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-3-[[1-(dimethylamino)cyclobutyl]methyl]urea?
The InChIKey is SGNQNWGDWGIGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-19(2)15(8-3-9-15)11-17-14(20)18-13-6-4-12(10-16)5-7-13/h4-7H,3,8-11,16H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[4-(aminomethyl)phenyl]-3-[[1-(dimethylamino)cyclobutyl]methyl]urea?
1-[4-(aminomethyl)phenyl]-3-[[1-(dimethylamino)cyclobutyl]methyl]urea has a molecular weight of 276.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-3-[[1-(dimethylamino)cyclobutyl]methyl]urea is sourced from PubChem (CID 105419458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).