1-[3-(butylamino)propyl]-3-ethylurea

C10H23N3O — CID 22381484

IUPAC1-[3-(butylamino)propyl]-3-ethylurea
SMILESCCCCNCCCNC(=O)NCC
InChIInChI=1S/C10H23N3O/c1-3-5-7-11-8-6-9-13-10(14)12-4-2/h11H,3-9H2,1-2H3,(H2,12,13,14)
InChIKeyVPSHGRYIPJHWNA-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.09
Rot. Bonds8

About 1-[3-(butylamino)propyl]-3-ethylurea

1-[3-(butylamino)propyl]-3-ethylurea (PubChem CID 22381484) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[3-(butylamino)propyl]-3-ethylurea.

Molecular Properties

Compound Name1-[3-(butylamino)propyl]-3-ethylurea
PubChem CID22381484
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name1-[3-(butylamino)propyl]-3-ethylurea
SMILESCCCCNCCCNC(=O)NCC
InChIInChI=1S/C10H23N3O/c1-3-5-7-11-8-6-9-13-10(14)12-4-2/h11H,3-9H2,1-2H3,(H2,12,13,14)
InChIKeyVPSHGRYIPJHWNA-UHFFFAOYSA-N
XLogP1.09
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.09
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

1-ethyl-3-[3-[7-[3-(ethylcarbamoylamino)propylamino]heptylamino]propyl]urea;methane
CID 162179209
1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea
CID 22381487
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea
CID 131888361
1-ethyl-3-[2-(propylamino)ethyl]urea
CID 62664925
1-butyl-3-octylurea
CID 17269600
1-butyl-3-[3-(ethylamino)-2-(ethylaminomethyl)-2-methylpropyl]urea
CID 22381260
N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 58965168
1-butyl-3-methylurea;hydrochloride
CID 20501295
1-propyl-3-tridecylurea
CID 10934987
1,3-diethylurea;ethane
CID 142885504
1-butyl-3-prop-2-ynylurea
CID 14344956

Frequently Asked Questions

What is the IUPAC name of 1-[3-(butylamino)propyl]-3-ethylurea?
The IUPAC name of 1-[3-(butylamino)propyl]-3-ethylurea (CID 22381484) is 1-[3-(butylamino)propyl]-3-ethylurea.
What is the SMILES notation for 1-[3-(butylamino)propyl]-3-ethylurea?
The canonical SMILES for 1-[3-(butylamino)propyl]-3-ethylurea is CCCCNCCCNC(=O)NCC.
What is the InChIKey of 1-[3-(butylamino)propyl]-3-ethylurea?
The InChIKey is VPSHGRYIPJHWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-3-5-7-11-8-6-9-13-10(14)12-4-2/h11H,3-9H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-[3-(butylamino)propyl]-3-ethylurea?
1-[3-(butylamino)propyl]-3-ethylurea has a molecular weight of 201.31 g/mol, XLogP of 1.09, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(butylamino)propyl]-3-ethylurea is sourced from PubChem (CID 22381484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).