1-(ethylamino)-1-propan-2-ylurea

C6H15N3O — CID 123864555

IUPAC1-(ethylamino)-1-propan-2-ylurea
SMILESCCNN(C(N)=O)C(C)C
InChIInChI=1S/C6H15N3O/c1-4-8-9(5(2)3)6(7)10/h5,8H,4H2,1-3H3,(H2,7,10)
InChIKeyAZFKIKMXAPREKP-UHFFFAOYSA-N
MW145.21 g/mol
LogP0.30
Rot. Bonds3

About 1-(ethylamino)-1-propan-2-ylurea

1-(ethylamino)-1-propan-2-ylurea (PubChem CID 123864555) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 1-(ethylamino)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(ethylamino)-1-propan-2-ylurea
PubChem CID123864555
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name1-(ethylamino)-1-propan-2-ylurea
SMILESCCNN(C(N)=O)C(C)C
InChIInChI=1S/C6H15N3O/c1-4-8-9(5(2)3)6(7)10/h5,8H,4H2,1-3H3,(H2,7,10)
InChIKeyAZFKIKMXAPREKP-UHFFFAOYSA-N
XLogP0.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

acetamide;N-ethyl-N-propan-2-ylpropan-2-amine
CID 158250626
ethanesulfonic acid;urea
CID 159375044
1-butyl-3-carbamoyl-1-methyl-3-propan-2-ylurea
CID 141134273
2-[ethyl(propan-2-yl)amino]acetamide
CID 22371770
3-(ethylamino)butanamide
CID 18792210
N-carbamoyl-2-hydroxy-N-propan-2-ylacetamide
CID 158203403
3-(ethylamino)-2-methylpropanamide
CID 43311981
2,3-dimethylbutanediamide
CID 55281411
(2R,3R)-2,3-dimethylpentanamide
CID 170847775
2-amino-N,N'-diethylpropanediamide
CID 88901749
bis(carbamothioic S-acid);bis(2-methylpropane);propane
CID 173455372
ethyl N-ethyl-N-propan-2-ylcarbamate
CID 61216466

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-1-propan-2-ylurea?
The IUPAC name of 1-(ethylamino)-1-propan-2-ylurea (CID 123864555) is 1-(ethylamino)-1-propan-2-ylurea.
What is the SMILES notation for 1-(ethylamino)-1-propan-2-ylurea?
The canonical SMILES for 1-(ethylamino)-1-propan-2-ylurea is CCNN(C(N)=O)C(C)C.
What is the InChIKey of 1-(ethylamino)-1-propan-2-ylurea?
The InChIKey is AZFKIKMXAPREKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-4-8-9(5(2)3)6(7)10/h5,8H,4H2,1-3H3,(H2,7,10).
What are the key properties of 1-(ethylamino)-1-propan-2-ylurea?
1-(ethylamino)-1-propan-2-ylurea has a molecular weight of 145.21 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-1-propan-2-ylurea is sourced from PubChem (CID 123864555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).