(N'-butylcarbamimidoyl)urea

C6H14N4O — CID 10975769

IUPAC(N'-butylcarbamimidoyl)urea
SMILESCCCC/N=C(\N)NC(N)=O
InChIInChI=1S/C6H14N4O/c1-2-3-4-9-5(7)10-6(8)11/h2-4H2,1H3,(H5,7,8,9,10,11)
InChIKeyIIJBJAMSMZILJC-UHFFFAOYSA-N
MW158.21 g/mol
LogP-0.23
Rot. Bonds3

About (N'-butylcarbamimidoyl)urea

(N'-butylcarbamimidoyl)urea (PubChem CID 10975769) has the molecular formula C6H14N4O and a molecular weight of 158.21 g/mol. Its IUPAC name is (N'-butylcarbamimidoyl)urea.

Molecular Properties

Compound Name(N'-butylcarbamimidoyl)urea
PubChem CID10975769
Molecular FormulaC6H14N4O
Molecular Weight158.21 g/mol
Exact Mass158.12
IUPAC Name(N'-butylcarbamimidoyl)urea
SMILESCCCC/N=C(\N)NC(N)=O
InChIInChI=1S/C6H14N4O/c1-2-3-4-9-5(7)10-6(8)11/h2-4H2,1H3,(H5,7,8,9,10,11)
InChIKeyIIJBJAMSMZILJC-UHFFFAOYSA-N
XLogP-0.23
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(N'-hexylcarbamimidoyl)urea
CID 87601330
1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine
CID 90672033
1-[N'-[4-[[amino-[(N'-nonylcarbamimidoyl)amino]methylidene]amino]butyl]carbamimidoyl]-2-nonylguanidine
CID 90672025
[N'-[4-(2-methylheptan-2-ylsulfanyl)butyl]carbamimidoyl]urea
CID 54572137
acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176521105
(E)-but-2-enedioic acid;2-butyl-1-carbamimidoylguanidine
CID 176533786
(N-butyl-C-pyrrolidin-1-ylcarbonimidoyl)urea
CID 118455560
2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
1-(N'-butylcarbamimidoyl)-3-(2,6-dimethylphenyl)urea
CID 13023382
2-butyl-1-carbamimidoylguanidine;dihydroxy(dioxo)chromium;hydrochloride
CID 176527980
N-(N'-butylcarbamimidoyl)-3-phenylprop-2-enamide
CID 91609124
3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide
CID 111077863

Frequently Asked Questions

What is the IUPAC name of (N'-butylcarbamimidoyl)urea?
The IUPAC name of (N'-butylcarbamimidoyl)urea (CID 10975769) is (N'-butylcarbamimidoyl)urea.
What is the SMILES notation for (N'-butylcarbamimidoyl)urea?
The canonical SMILES for (N'-butylcarbamimidoyl)urea is CCCC/N=C(\N)NC(N)=O.
What is the InChIKey of (N'-butylcarbamimidoyl)urea?
The InChIKey is IIJBJAMSMZILJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O/c1-2-3-4-9-5(7)10-6(8)11/h2-4H2,1H3,(H5,7,8,9,10,11).
What are the key properties of (N'-butylcarbamimidoyl)urea?
(N'-butylcarbamimidoyl)urea has a molecular weight of 158.21 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (N'-butylcarbamimidoyl)urea is sourced from PubChem (CID 10975769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).