1-(3-aminopropyl)-3-ethyl-1-methylurea

C7H17N3O — CID 43164859

IUPAC1-(3-aminopropyl)-3-ethyl-1-methylurea
SMILESCCNC(=O)N(C)CCCN
InChIInChI=1S/C7H17N3O/c1-3-9-7(11)10(2)6-4-5-8/h3-6,8H2,1-2H3,(H,9,11)
InChIKeyUESJGNLEBGHZES-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.00
Rot. Bonds4

About 1-(3-aminopropyl)-3-ethyl-1-methylurea

1-(3-aminopropyl)-3-ethyl-1-methylurea (PubChem CID 43164859) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-ethyl-1-methylurea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-ethyl-1-methylurea
PubChem CID43164859
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name1-(3-aminopropyl)-3-ethyl-1-methylurea
SMILESCCNC(=O)N(C)CCCN
InChIInChI=1S/C7H17N3O/c1-3-9-7(11)10(2)6-4-5-8/h3-6,8H2,1-2H3,(H,9,11)
InChIKeyUESJGNLEBGHZES-UHFFFAOYSA-N
XLogP-0.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[ethylcarbamoyl(methyl)amino]butanoate
CID 60970924
1,3-diethyl-1-methylurea;molecular hydrogen
CID 142235492
3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 115698202
3-[2-[amino(methyl)amino]ethyl]-1-methyl-1-pentylurea
CID 167106061
2-[[butyl(methyl)carbamoyl]amino]acetic acid
CID 28507820
1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea
CID 43164862
1-(3-aminopropyl)-3-ethyl-1-(2-fluorophenyl)urea
CID 43164865
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylacetamide
CID 61456716
1-butyl-3-(cyanomethyl)-1-methylurea
CID 108864807
N-[3-[3-aminopropyl(methyl)amino]propyl]propanamide
CID 59112854
3-ethyl-1,1-dimethylurea;molecular hydrogen
CID 144978346
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylpropanamide
CID 54952297

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-ethyl-1-methylurea?
The IUPAC name of 1-(3-aminopropyl)-3-ethyl-1-methylurea (CID 43164859) is 1-(3-aminopropyl)-3-ethyl-1-methylurea.
What is the SMILES notation for 1-(3-aminopropyl)-3-ethyl-1-methylurea?
The canonical SMILES for 1-(3-aminopropyl)-3-ethyl-1-methylurea is CCNC(=O)N(C)CCCN.
What is the InChIKey of 1-(3-aminopropyl)-3-ethyl-1-methylurea?
The InChIKey is UESJGNLEBGHZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-3-9-7(11)10(2)6-4-5-8/h3-6,8H2,1-2H3,(H,9,11).
What are the key properties of 1-(3-aminopropyl)-3-ethyl-1-methylurea?
1-(3-aminopropyl)-3-ethyl-1-methylurea has a molecular weight of 159.23 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-ethyl-1-methylurea is sourced from PubChem (CID 43164859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).