[1-(dimethylamino)-2,2-dimethylpropyl]urea

C8H19N3O — CID 88507082

IUPAC[1-(dimethylamino)-2,2-dimethylpropyl]urea
SMILESCN(C)C(NC(N)=O)C(C)(C)C
InChIInChI=1S/C8H19N3O/c1-8(2,3)6(11(4)5)10-7(9)12/h6H,1-5H3,(H3,9,10,12)
InChIKeyVFMKMFANJNMISV-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.59
Rot. Bonds2

About [1-(dimethylamino)-2,2-dimethylpropyl]urea

[1-(dimethylamino)-2,2-dimethylpropyl]urea (PubChem CID 88507082) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is [1-(dimethylamino)-2,2-dimethylpropyl]urea.

Molecular Properties

Compound Name[1-(dimethylamino)-2,2-dimethylpropyl]urea
PubChem CID88507082
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name[1-(dimethylamino)-2,2-dimethylpropyl]urea
SMILESCN(C)C(NC(N)=O)C(C)(C)C
InChIInChI=1S/C8H19N3O/c1-8(2,3)6(11(4)5)10-7(9)12/h6H,1-5H3,(H3,9,10,12)
InChIKeyVFMKMFANJNMISV-UHFFFAOYSA-N
XLogP0.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(dimethylamino)ethylurea
CID 169101887
1-hydrazinyl-N,N,2,2-tetramethylpropan-1-amine
CID 116914826
(2S)-2-(carbamoylamino)-3,3-dimethylbutanamide
CID 130628762
[1-(dimethylamino)-2-oxoethyl]urea
CID 139354095
(2S)-2-(dimethylamino)-3,3-dimethylbutanamide
CID 87149989
[1-(carbamoylamino)-2-methylpropyl]urea
CID 22478
2,2-dimethyl-N-[2,2,2-trichloro-1-(dimethylamino)ethyl]propanamide
CID 3091311
(4,4-dimethyl-3-oxopentan-2-yl)urea
CID 58728668
tert-butyl (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-methylbutanoate
CID 103775011
tert-butyl 2,2-bis(dimethylamino)acetate
CID 20512349
dichloromethylurea
CID 23083847
2-(carbamoylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 79387560

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-2,2-dimethylpropyl]urea?
The IUPAC name of [1-(dimethylamino)-2,2-dimethylpropyl]urea (CID 88507082) is [1-(dimethylamino)-2,2-dimethylpropyl]urea.
What is the SMILES notation for [1-(dimethylamino)-2,2-dimethylpropyl]urea?
The canonical SMILES for [1-(dimethylamino)-2,2-dimethylpropyl]urea is CN(C)C(NC(N)=O)C(C)(C)C.
What is the InChIKey of [1-(dimethylamino)-2,2-dimethylpropyl]urea?
The InChIKey is VFMKMFANJNMISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-8(2,3)6(11(4)5)10-7(9)12/h6H,1-5H3,(H3,9,10,12).
What are the key properties of [1-(dimethylamino)-2,2-dimethylpropyl]urea?
[1-(dimethylamino)-2,2-dimethylpropyl]urea has a molecular weight of 173.26 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-2,2-dimethylpropyl]urea is sourced from PubChem (CID 88507082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).