3-amino-1-ethyl-1-propylurea

C6H15N3O — CID 43269070

IUPAC3-amino-1-ethyl-1-propylurea
SMILESCCCN(CC)C(=O)NN
InChIInChI=1S/C6H15N3O/c1-3-5-9(4-2)6(10)8-7/h3-5,7H2,1-2H3,(H,8,10)
InChIKeyITTZSMNLWUYPRB-UHFFFAOYSA-N
MW145.21 g/mol
LogP0.30
Rot. Bonds3

About 3-amino-1-ethyl-1-propylurea

3-amino-1-ethyl-1-propylurea (PubChem CID 43269070) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 3-amino-1-ethyl-1-propylurea.

Molecular Properties

Compound Name3-amino-1-ethyl-1-propylurea
PubChem CID43269070
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name3-amino-1-ethyl-1-propylurea
SMILESCCCN(CC)C(=O)NN
InChIInChI=1S/C6H15N3O/c1-3-5-9(4-2)6(10)8-7/h3-5,7H2,1-2H3,(H,8,10)
InChIKeyITTZSMNLWUYPRB-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': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-ethyl-1-(2-ethylbutyl)urea
CID 61438084
2-[[ethyl(propyl)carbamoyl]amino]acetic acid
CID 43445697
3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266331
3-amino-1-ethyl-1-methylurea
CID 43263702
3-iodo-1,1-dipropylurea
CID 87969845
N-ethyl-N-propylacetamide;methane;propane
CID 161155898
4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62048521
(2S)-2-amino-N-ethyl-N-propylbutanamide
CID 79025011
1-[[ethyl(propyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61195465
2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65218574
2-cyclopropyl-2-[[ethyl(propyl)carbamoyl]amino]propanoic acid
CID 61195647
N-ethyl-2-hydrazinyl-N-propylbenzamide
CID 62243548

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-1-propylurea?
The IUPAC name of 3-amino-1-ethyl-1-propylurea (CID 43269070) is 3-amino-1-ethyl-1-propylurea.
What is the SMILES notation for 3-amino-1-ethyl-1-propylurea?
The canonical SMILES for 3-amino-1-ethyl-1-propylurea is CCCN(CC)C(=O)NN.
What is the InChIKey of 3-amino-1-ethyl-1-propylurea?
The InChIKey is ITTZSMNLWUYPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-3-5-9(4-2)6(10)8-7/h3-5,7H2,1-2H3,(H,8,10).
What are the key properties of 3-amino-1-ethyl-1-propylurea?
3-amino-1-ethyl-1-propylurea 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 3-amino-1-ethyl-1-propylurea is sourced from PubChem (CID 43269070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).