3-(3-amino-2-methylpropyl)-1,1-diethylurea

C9H21N3O — CID 79154789

IUPAC3-(3-amino-2-methylpropyl)-1,1-diethylurea
SMILESCCN(CC)C(=O)NCC(C)CN
InChIInChI=1S/C9H21N3O/c1-4-12(5-2)9(13)11-7-8(3)6-10/h8H,4-7,10H2,1-3H3,(H,11,13)
InChIKeyARZGDEQVEDEWBO-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.63
Rot. Bonds5

About 3-(3-amino-2-methylpropyl)-1,1-diethylurea

3-(3-amino-2-methylpropyl)-1,1-diethylurea (PubChem CID 79154789) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-(3-amino-2-methylpropyl)-1,1-diethylurea.

Molecular Properties

Compound Name3-(3-amino-2-methylpropyl)-1,1-diethylurea
PubChem CID79154789
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name3-(3-amino-2-methylpropyl)-1,1-diethylurea
SMILESCCN(CC)C(=O)NCC(C)CN
InChIInChI=1S/C9H21N3O/c1-4-12(5-2)9(13)11-7-8(3)6-10/h8H,4-7,10H2,1-3H3,(H,11,13)
InChIKeyARZGDEQVEDEWBO-UHFFFAOYSA-N
XLogP0.63
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diethyl-3-(4-hydroxy-2-methylpentyl)urea
CID 71911296
1,1-diethyl-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea
CID 97099381
1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea
CID 83030843
5-(diethylcarbamoylamino)-4-methylpentanoic acid
CID 82684112
1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea
CID 115755100
N-(3-amino-2-methylpropyl)-2-methylbutanamide
CID 62666098
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
CID 81069914
2-amino-N-(3-amino-2-methylpropyl)acetamide
CID 130703152
4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 81069497
3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 103103591
acetic acid;methane;bis(2-methylbutan-1-amine);N-(2-methylbutyl)acetamide
CID 167598192
N'-(3-amino-2-methylpropyl)-N-propylbutanediamide
CID 119998426

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-methylpropyl)-1,1-diethylurea?
The IUPAC name of 3-(3-amino-2-methylpropyl)-1,1-diethylurea (CID 79154789) is 3-(3-amino-2-methylpropyl)-1,1-diethylurea.
What is the SMILES notation for 3-(3-amino-2-methylpropyl)-1,1-diethylurea?
The canonical SMILES for 3-(3-amino-2-methylpropyl)-1,1-diethylurea is CCN(CC)C(=O)NCC(C)CN.
What is the InChIKey of 3-(3-amino-2-methylpropyl)-1,1-diethylurea?
The InChIKey is ARZGDEQVEDEWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-4-12(5-2)9(13)11-7-8(3)6-10/h8H,4-7,10H2,1-3H3,(H,11,13).
What are the key properties of 3-(3-amino-2-methylpropyl)-1,1-diethylurea?
3-(3-amino-2-methylpropyl)-1,1-diethylurea has a molecular weight of 187.29 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-methylpropyl)-1,1-diethylurea is sourced from PubChem (CID 79154789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).