2-(2-methylbutylamino)ethylurea

C8H19N3O — CID 83109541

IUPAC2-(2-methylbutylamino)ethylurea
SMILESCCC(C)CNCCNC(N)=O
InChIInChI=1S/C8H19N3O/c1-3-7(2)6-10-4-5-11-8(9)12/h7,10H,3-6H2,1-2H3,(H3,9,11,12)
InChIKeyQMQWWYJTTPHBSX-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.29
Rot. Bonds6

About 2-(2-methylbutylamino)ethylurea

2-(2-methylbutylamino)ethylurea (PubChem CID 83109541) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-(2-methylbutylamino)ethylurea.

Molecular Properties

Compound Name2-(2-methylbutylamino)ethylurea
PubChem CID83109541
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name2-(2-methylbutylamino)ethylurea
SMILESCCC(C)CNCCNC(N)=O
InChIInChI=1S/C8H19N3O/c1-3-7(2)6-10-4-5-11-8(9)12/h7,10H,3-6H2,1-2H3,(H3,9,11,12)
InChIKeyQMQWWYJTTPHBSX-UHFFFAOYSA-N
XLogP0.29
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylbutylurea
CID 22179633
N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 87768020
N-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide
CID 97095660
4-methylhexylurea
CID 59582725
4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide
CID 20668910
2-amino-3-[2-(carbamoylamino)ethylamino]propanamide
CID 103262445
N-carbamoyl-2-(2-methylbutylamino)acetamide
CID 62691808
2-[[(2R)-2-methylbutyl]amino]ethanol
CID 24884413
(2S)-2-amino-6-(2-methylbutylamino)hexanoic acid
CID 89009383
ethyl N-[2-(2-methylpentylamino)ethyl]carbamate
CID 115906876
2-[2-(2-aminoethylamino)ethylamino]ethylurea
CID 175595434
N-[2-(carbamoylamino)ethyl]propanamide
CID 78993883

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutylamino)ethylurea?
The IUPAC name of 2-(2-methylbutylamino)ethylurea (CID 83109541) is 2-(2-methylbutylamino)ethylurea.
What is the SMILES notation for 2-(2-methylbutylamino)ethylurea?
The canonical SMILES for 2-(2-methylbutylamino)ethylurea is CCC(C)CNCCNC(N)=O.
What is the InChIKey of 2-(2-methylbutylamino)ethylurea?
The InChIKey is QMQWWYJTTPHBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-3-7(2)6-10-4-5-11-8(9)12/h7,10H,3-6H2,1-2H3,(H3,9,11,12).
What are the key properties of 2-(2-methylbutylamino)ethylurea?
2-(2-methylbutylamino)ethylurea has a molecular weight of 173.26 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutylamino)ethylurea is sourced from PubChem (CID 83109541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).