[4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea

C13H22N4O — CID 43754835

IUPAC[4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea
SMILESCC(NCCN(C)C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C13H22N4O/c1-10(15-8-9-17(2)3)11-4-6-12(7-5-11)16-13(14)18/h4-7,10,15H,8-9H2,1-3H3,(H3,14,16,18)
InChIKeyWYLVSPNZPOKNCI-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.39
Rot. Bonds6

About [4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea

[4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea (PubChem CID 43754835) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea
PubChem CID43754835
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea
SMILESCC(NCCN(C)C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C13H22N4O/c1-10(15-8-9-17(2)3)11-4-6-12(7-5-11)16-13(14)18/h4-7,10,15H,8-9H2,1-3H3,(H3,14,16,18)
InChIKeyWYLVSPNZPOKNCI-UHFFFAOYSA-N
XLogP1.39
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea
CID 43763193
[4-[1-(2-phenylethylamino)ethyl]phenyl]urea
CID 43749979
[4-[1-(5-methylsulfanylpentylamino)ethyl]phenyl]urea
CID 104926294
[4-[1-(2-methylsulfanylpropylamino)ethyl]phenyl]urea
CID 113349040
[4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenyl]urea
CID 103903124
4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide
CID 43754787
N-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 30111376
[4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea
CID 103699485
[4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]urea
CID 63983873
[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea
CID 43775240
[4-[1-[2-(cyclopenten-1-yl)ethylamino]ethyl]phenyl]urea
CID 103904492
[4-[2-(dimethylamino)ethyl]phenyl]urea
CID 150231962

Frequently Asked Questions

What is the IUPAC name of [4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea?
The IUPAC name of [4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea (CID 43754835) is [4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea?
The canonical SMILES for [4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea is CC(NCCN(C)C)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea?
The InChIKey is WYLVSPNZPOKNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(15-8-9-17(2)3)11-4-6-12(7-5-11)16-13(14)18/h4-7,10,15H,8-9H2,1-3H3,(H3,14,16,18).
What are the key properties of [4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea?
[4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea has a molecular weight of 250.35 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea is sourced from PubChem (CID 43754835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).