1-(1-amino-1-iminopropan-2-yl)-3-ethyl-1,3-dimethylurea

C8H18N4O — CID 79163244

IUPAC1-(1-amino-1-iminopropan-2-yl)-3-ethyl-1,3-dimethylurea
SMILES[H]/N=C(\N)C(C)N(C)C(=O)N(C)CC
InChIInChI=1S/C8H18N4O/c1-5-11(3)8(13)12(4)6(2)7(9)10/h6H,5H2,1-4H3,(H3,9,10)
InChIKeyDWOIWJKPZRMPJB-UHFFFAOYSA-N
MW186.26 g/mol
LogP0.31
Rot. Bonds3

About 1-(1-amino-1-iminopropan-2-yl)-3-ethyl-1,3-dimethylurea

1-(1-amino-1-iminopropan-2-yl)-3-ethyl-1,3-dimethylurea (PubChem CID 79163244) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-(1-amino-1-iminopropan-2-yl)-3-ethyl-1,3-dimethylurea.

Molecular Properties

Compound Name1-(1-amino-1-iminopropan-2-yl)-3-ethyl-1,3-dimethylurea
PubChem CID79163244
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name1-(1-amino-1-iminopropan-2-yl)-3-ethyl-1,3-dimethylurea
SMILES[H]/N=C(\N)C(C)N(C)C(=O)N(C)CC
InChIInChI=1S/C8H18N4O/c1-5-11(3)8(13)12(4)6(2)7(9)10/h6H,5H2,1-4H3,(H3,9,10)
InChIKeyDWOIWJKPZRMPJB-UHFFFAOYSA-N
XLogP0.31
TPSA73.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-3-iminopropyl)-3-ethyl-3-methyl-1-propan-2-ylurea
CID 79162505
1-(3-amino-3-iminopropyl)-3-ethyl-1,3-dimethylurea
CID 79163328
1-(3-amino-3-imino-2-methylpropyl)-1,3,3-triethylurea
CID 79160800
1-ethyl-1,3-dimethyl-3-pentan-3-ylurea
CID 116654334
2-[2-ethoxyethyl(methyl)amino]propanimidamide
CID 81055981
3-(2-amino-1-cyclopropyl-2-iminoethyl)-1-ethyl-1-methylurea
CID 79163516
2-[3-(diethylamino)propyl-ethylamino]propanimidamide
CID 102993857
1-ethyl-1-methylurea
CID 3032104
2-methylpropanimidamide;hydrochloride
CID 2782053
2-[[ethyl(methyl)carbamoyl]-(2-methylpropyl)amino]acetamide
CID 116655061
3-(dimethylamino)-2-methylpropanimidamide
CID 43368046
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanimidamide
CID 79313935

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-1-iminopropan-2-yl)-3-ethyl-1,3-dimethylurea?
The IUPAC name of 1-(1-amino-1-iminopropan-2-yl)-3-ethyl-1,3-dimethylurea (CID 79163244) is 1-(1-amino-1-iminopropan-2-yl)-3-ethyl-1,3-dimethylurea.
What is the SMILES notation for 1-(1-amino-1-iminopropan-2-yl)-3-ethyl-1,3-dimethylurea?
The canonical SMILES for 1-(1-amino-1-iminopropan-2-yl)-3-ethyl-1,3-dimethylurea is [H]/N=C(\N)C(C)N(C)C(=O)N(C)CC.
What is the InChIKey of 1-(1-amino-1-iminopropan-2-yl)-3-ethyl-1,3-dimethylurea?
The InChIKey is DWOIWJKPZRMPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-5-11(3)8(13)12(4)6(2)7(9)10/h6H,5H2,1-4H3,(H3,9,10).
What are the key properties of 1-(1-amino-1-iminopropan-2-yl)-3-ethyl-1,3-dimethylurea?
1-(1-amino-1-iminopropan-2-yl)-3-ethyl-1,3-dimethylurea has a molecular weight of 186.26 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-1-iminopropan-2-yl)-3-ethyl-1,3-dimethylurea is sourced from PubChem (CID 79163244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).