1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea

C9H21N3O — CID 79652129

IUPAC1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C9H21N3O/c1-9(2,6-10)7-12(5)8(13)11(3)4/h6-7,10H2,1-5H3
InChIKeyWKTWGKXGNYEPDZ-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.58
Rot. Bonds3

About 1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea

1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea (PubChem CID 79652129) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea
PubChem CID79652129
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C9H21N3O/c1-9(2,6-10)7-12(5)8(13)11(3)4/h6-7,10H2,1-5H3
InChIKeyWKTWGKXGNYEPDZ-UHFFFAOYSA-N
XLogP0.58
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N,3-dimethylbutanamide
CID 79652395
N-(3-amino-2,2-dimethylpropyl)-2-(diethylamino)-N-methylacetamide
CID 119652831
N-(3-amino-2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide
CID 79652128
N-(3-amino-2,2-dimethylpropyl)-2,2-difluoro-N-methylacetamide
CID 103514230
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N,2-dimethylpropanamide
CID 103021572
N-(3-amino-2,2-dimethylpropyl)-N-methylbut-2-enamide
CID 115278744
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yloxyacetamide;hydrochloride
CID 119655780
N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide
CID 115272569
N-(3-amino-2,2-dimethylpropyl)-N-methylbut-3-enamide
CID 79653171
N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylhexanamide;hydrochloride
CID 119655813
N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 119656130
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropanamide
CID 114028856

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea?
The IUPAC name of 1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea (CID 79652129) is 1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea.
What is the SMILES notation for 1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea?
The canonical SMILES for 1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea is CN(C)C(=O)N(C)CC(C)(C)CN.
What is the InChIKey of 1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea?
The InChIKey is WKTWGKXGNYEPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-9(2,6-10)7-12(5)8(13)11(3)4/h6-7,10H2,1-5H3.
What are the key properties of 1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea?
1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea has a molecular weight of 187.29 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea is sourced from PubChem (CID 79652129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).