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

C9H19N3O — CID 116652099

IUPAC1-(2-amino-1-cyclopropylethyl)-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)C(CN)C1CC1
InChIInChI=1S/C9H19N3O/c1-11(2)9(13)12(3)8(6-10)7-4-5-7/h7-8H,4-6,10H2,1-3H3
InChIKeyCCFBHPNBNZTDLH-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.34
Rot. Bonds3

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

1-(2-amino-1-cyclopropylethyl)-1,3,3-trimethylurea (PubChem CID 116652099) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(2-amino-1-cyclopropylethyl)-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-(2-amino-1-cyclopropylethyl)-1,3,3-trimethylurea
PubChem CID116652099
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-(2-amino-1-cyclopropylethyl)-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)C(CN)C1CC1
InChIInChI=1S/C9H19N3O/c1-11(2)9(13)12(3)8(6-10)7-4-5-7/h7-8H,4-6,10H2,1-3H3
InChIKeyCCFBHPNBNZTDLH-UHFFFAOYSA-N
XLogP0.34
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-1-cyclopropylethyl)-3-cyclopropyl-1-methylurea
CID 116652105
N-(2-amino-1-cyclopropylethyl)-N,2-dimethylcyclopropane-1-carboxamide
CID 116651762
N-(2-amino-1-cyclopropylethyl)-2-(2,5-dimethylpyrrolidin-1-yl)-N-methylpropanamide
CID 116652027
N-(2-amino-1-cyclopropylethyl)-2-cyclopentyl-N-methylacetamide
CID 116651718
N-(2-amino-1-cyclopropylethyl)-3,3,3-trifluoro-N-methylpropanamide
CID 116651949
N-(2-amino-1-cyclopropylethyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 116651597
N-(2-amino-1-cyclopropylethyl)-N,1-dimethylcyclopentane-1-carboxamide
CID 116651586
N-(2-amino-1-cyclopropylethyl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107181073
1-(2-amino-1-cyclopropylethyl)-3-butyl-1-methylurea
CID 116652081
N-(2-amino-1-cyclopropylethyl)-N-methyl-3-pyrrolidin-1-ylpropanamide
CID 116651609
N-(2-amino-1-cyclopropylethyl)-N-methylthiadiazole-4-carboxamide
CID 116652070
N-(2-amino-1-cyclopropylethyl)-N-methyloxane-3-carboxamide
CID 116651608

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-cyclopropylethyl)-1,3,3-trimethylurea?
The IUPAC name of 1-(2-amino-1-cyclopropylethyl)-1,3,3-trimethylurea (CID 116652099) is 1-(2-amino-1-cyclopropylethyl)-1,3,3-trimethylurea.
What is the SMILES notation for 1-(2-amino-1-cyclopropylethyl)-1,3,3-trimethylurea?
The canonical SMILES for 1-(2-amino-1-cyclopropylethyl)-1,3,3-trimethylurea is CN(C)C(=O)N(C)C(CN)C1CC1.
What is the InChIKey of 1-(2-amino-1-cyclopropylethyl)-1,3,3-trimethylurea?
The InChIKey is CCFBHPNBNZTDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-11(2)9(13)12(3)8(6-10)7-4-5-7/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 1-(2-amino-1-cyclopropylethyl)-1,3,3-trimethylurea?
1-(2-amino-1-cyclopropylethyl)-1,3,3-trimethylurea has a molecular weight of 185.27 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-cyclopropylethyl)-1,3,3-trimethylurea is sourced from PubChem (CID 116652099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).