1-(3-amino-2,2-dimethylpropyl)-3-cyclopropyl-1-methylurea

C10H21N3O — CID 79652798

IUPAC1-(3-amino-2,2-dimethylpropyl)-3-cyclopropyl-1-methylurea
SMILESCN(CC(C)(C)CN)C(=O)NC1CC1
InChIInChI=1S/C10H21N3O/c1-10(2,6-11)7-13(3)9(14)12-8-4-5-8/h8H,4-7,11H2,1-3H3,(H,12,14)
InChIKeyMHNOSUYPGIOAQP-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.78
Rot. Bonds4

About 1-(3-amino-2,2-dimethylpropyl)-3-cyclopropyl-1-methylurea

1-(3-amino-2,2-dimethylpropyl)-3-cyclopropyl-1-methylurea (PubChem CID 79652798) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(3-amino-2,2-dimethylpropyl)-3-cyclopropyl-1-methylurea.

Molecular Properties

Compound Name1-(3-amino-2,2-dimethylpropyl)-3-cyclopropyl-1-methylurea
PubChem CID79652798
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-(3-amino-2,2-dimethylpropyl)-3-cyclopropyl-1-methylurea
SMILESCN(CC(C)(C)CN)C(=O)NC1CC1
InChIInChI=1S/C10H21N3O/c1-10(2,6-11)7-13(3)9(14)12-8-4-5-8/h8H,4-7,11H2,1-3H3,(H,12,14)
InChIKeyMHNOSUYPGIOAQP-UHFFFAOYSA-N
XLogP0.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-(cyclohexylcarbamoylamino)-N-methylacetamide
CID 119656351
2-[cyclopropylcarbamoyl(methyl)amino]acetamide
CID 115583065
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexylacetamide
CID 79651871
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopropylpropanamide
CID 79661499
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride
CID 119928901
1-(2-aminoethyl)-3-cyclobutyl-1-methylurea
CID 82503265
N-(3-amino-2,2-dimethylpropyl)-2-cyclobutyl-N-methylacetamide
CID 103807677
1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea
CID 79652129
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopentylpropanamide
CID 79667958
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 79652406
4-[bis(2,2-dimethylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023696
3-cyclopropyl-1-[2-(dimethylcarbamoylamino)ethyl]-1-methylurea
CID 75449864

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,2-dimethylpropyl)-3-cyclopropyl-1-methylurea?
The IUPAC name of 1-(3-amino-2,2-dimethylpropyl)-3-cyclopropyl-1-methylurea (CID 79652798) is 1-(3-amino-2,2-dimethylpropyl)-3-cyclopropyl-1-methylurea.
What is the SMILES notation for 1-(3-amino-2,2-dimethylpropyl)-3-cyclopropyl-1-methylurea?
The canonical SMILES for 1-(3-amino-2,2-dimethylpropyl)-3-cyclopropyl-1-methylurea is CN(CC(C)(C)CN)C(=O)NC1CC1.
What is the InChIKey of 1-(3-amino-2,2-dimethylpropyl)-3-cyclopropyl-1-methylurea?
The InChIKey is MHNOSUYPGIOAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(2,6-11)7-13(3)9(14)12-8-4-5-8/h8H,4-7,11H2,1-3H3,(H,12,14).
What are the key properties of 1-(3-amino-2,2-dimethylpropyl)-3-cyclopropyl-1-methylurea?
1-(3-amino-2,2-dimethylpropyl)-3-cyclopropyl-1-methylurea has a molecular weight of 199.30 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,2-dimethylpropyl)-3-cyclopropyl-1-methylurea is sourced from PubChem (CID 79652798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).