3-[2-[amino(methyl)amino]ethyl]-1-methyl-1-pentylurea

C10H24N4O — CID 167106061

IUPAC3-[2-[amino(methyl)amino]ethyl]-1-methyl-1-pentylurea
SMILESCCCCCN(C)C(=O)NCCN(C)N
InChIInChI=1S/C10H24N4O/c1-4-5-6-8-13(2)10(15)12-7-9-14(3)11/h4-9,11H2,1-3H3,(H,12,15)
InChIKeyVAKRNCWPAAEAMO-UHFFFAOYSA-N
MW216.33 g/mol
LogP0.62
Rot. Bonds7

About 3-[2-[amino(methyl)amino]ethyl]-1-methyl-1-pentylurea

3-[2-[amino(methyl)amino]ethyl]-1-methyl-1-pentylurea (PubChem CID 167106061) has the molecular formula C10H24N4O and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-[2-[amino(methyl)amino]ethyl]-1-methyl-1-pentylurea.

Molecular Properties

Compound Name3-[2-[amino(methyl)amino]ethyl]-1-methyl-1-pentylurea
PubChem CID167106061
Molecular FormulaC10H24N4O
Molecular Weight216.33 g/mol
Exact Mass216.20
IUPAC Name3-[2-[amino(methyl)amino]ethyl]-1-methyl-1-pentylurea
SMILESCCCCCN(C)C(=O)NCCN(C)N
InChIInChI=1S/C10H24N4O/c1-4-5-6-8-13(2)10(15)12-7-9-14(3)11/h4-9,11H2,1-3H3,(H,12,15)
InChIKeyVAKRNCWPAAEAMO-UHFFFAOYSA-N
XLogP0.62
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[methyl(octylcarbamoyl)amino]propanoic acid
CID 115569264
methyl 4-[butylcarbamoyl(methyl)amino]butanoate
CID 60970627
4-[2-[[methyl(pentyl)carbamoyl]amino]ethyl]benzoic acid
CID 61198157
2-[[butyl(methyl)carbamoyl]amino]acetic acid
CID 28507820
1-(3-aminopropyl)-3-ethyl-1-methylurea
CID 43164859
1-butyl-3-(cyanomethyl)-1-methylurea
CID 108864807
1-(3-amino-4-methylpentyl)-3-butyl-1-methylurea
CID 115317544
1,3-diheptyl-1-(hexylcarbamoyl)urea
CID 89190547
1,1,3-tri(undecyl)urea
CID 168918847
2-[methyl(pentadecylcarbamoyl)amino]acetic acid
CID 20527934
4-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61195680
1-methyl-1-octadecylhydrazine;hydrochloride
CID 174580894

Frequently Asked Questions

What is the IUPAC name of 3-[2-[amino(methyl)amino]ethyl]-1-methyl-1-pentylurea?
The IUPAC name of 3-[2-[amino(methyl)amino]ethyl]-1-methyl-1-pentylurea (CID 167106061) is 3-[2-[amino(methyl)amino]ethyl]-1-methyl-1-pentylurea.
What is the SMILES notation for 3-[2-[amino(methyl)amino]ethyl]-1-methyl-1-pentylurea?
The canonical SMILES for 3-[2-[amino(methyl)amino]ethyl]-1-methyl-1-pentylurea is CCCCCN(C)C(=O)NCCN(C)N.
What is the InChIKey of 3-[2-[amino(methyl)amino]ethyl]-1-methyl-1-pentylurea?
The InChIKey is VAKRNCWPAAEAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O/c1-4-5-6-8-13(2)10(15)12-7-9-14(3)11/h4-9,11H2,1-3H3,(H,12,15).
What are the key properties of 3-[2-[amino(methyl)amino]ethyl]-1-methyl-1-pentylurea?
3-[2-[amino(methyl)amino]ethyl]-1-methyl-1-pentylurea has a molecular weight of 216.33 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[amino(methyl)amino]ethyl]-1-methyl-1-pentylurea is sourced from PubChem (CID 167106061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).