1-[2-(dimethylamino)ethyl]-3-methylurea;propane

C9H23N3O — CID 158826025

IUPAC1-[2-(dimethylamino)ethyl]-3-methylurea;propane
SMILESCCC.CNC(=O)NCCN(C)C
InChIInChI=1S/C6H15N3O.C3H8/c1-7-6(10)8-4-5-9(2)3;1-3-2/h4-5H2,1-3H3,(H2,7,8,10);3H2,1-2H3
InChIKeyIWLSEKXOTGJSRT-UHFFFAOYSA-N
MW189.30 g/mol
LogP0.89
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]-3-methylurea;propane

1-[2-(dimethylamino)ethyl]-3-methylurea;propane (PubChem CID 158826025) has the molecular formula C9H23N3O and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-methylurea;propane.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-methylurea;propane
PubChem CID158826025
Molecular FormulaC9H23N3O
Molecular Weight189.30 g/mol
Exact Mass189.18
IUPAC Name1-[2-(dimethylamino)ethyl]-3-methylurea;propane
SMILESCCC.CNC(=O)NCCN(C)C
InChIInChI=1S/C6H15N3O.C3H8/c1-7-6(10)8-4-5-9(2)3;1-3-2/h4-5H2,1-3H3,(H2,7,8,10);3H2,1-2H3
InChIKeyIWLSEKXOTGJSRT-UHFFFAOYSA-N
XLogP0.89
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide
CID 43146174
2-(dimethylamino)ethylurea
CID 16785331
2-(dimethylamino)ethylcarbamic acid;hydrochloride
CID 118321795
N-[2-(dimethylamino)ethyl]carbamoyl chloride
CID 87387045
N-[2-(dimethylamino)ethyl]-2,2-difluorobutanamide
CID 90205971
1-methyl-3-[2-(methylamino)ethyl]urea
CID 22381232
1-butyl-3-methylurea;hydrochloride
CID 20501295
2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid
CID 16784119
propane;N,N',N'-trimethylethane-1,2-diamine
CID 176717346
1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea
CID 3726783
3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428255
1-[3-(dimethylamino)propyl]-3-ethylurea;hydrate
CID 175591595

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-methylurea;propane?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-methylurea;propane (CID 158826025) is 1-[2-(dimethylamino)ethyl]-3-methylurea;propane.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-methylurea;propane?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-methylurea;propane is CCC.CNC(=O)NCCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-methylurea;propane?
The InChIKey is IWLSEKXOTGJSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O.C3H8/c1-7-6(10)8-4-5-9(2)3;1-3-2/h4-5H2,1-3H3,(H2,7,8,10);3H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-methylurea;propane?
1-[2-(dimethylamino)ethyl]-3-methylurea;propane has a molecular weight of 189.30 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-methylurea;propane is sourced from PubChem (CID 158826025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).