(N'-hexylcarbamimidoyl)urea

C8H18N4O — CID 87601330

IUPAC(N'-hexylcarbamimidoyl)urea
SMILESCCCCCC/N=C(\N)NC(N)=O
InChIInChI=1S/C8H18N4O/c1-2-3-4-5-6-11-7(9)12-8(10)13/h2-6H2,1H3,(H5,9,10,11,12,13)
InChIKeyNQPHCVSBRKZJMC-UHFFFAOYSA-N
MW186.26 g/mol
LogP0.55
Rot. Bonds5

About (N'-hexylcarbamimidoyl)urea

(N'-hexylcarbamimidoyl)urea (PubChem CID 87601330) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is (N'-hexylcarbamimidoyl)urea.

Molecular Properties

Compound Name(N'-hexylcarbamimidoyl)urea
PubChem CID87601330
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name(N'-hexylcarbamimidoyl)urea
SMILESCCCCCC/N=C(\N)NC(N)=O
InChIInChI=1S/C8H18N4O/c1-2-3-4-5-6-11-7(9)12-8(10)13/h2-6H2,1H3,(H5,9,10,11,12,13)
InChIKeyNQPHCVSBRKZJMC-UHFFFAOYSA-N
XLogP0.55
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 50.55
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'-butylcarbamimidoyl)urea
CID 10975769
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
1-carbamimidoyl-2-hexylguanidine
CID 176518657
1-ethyl-2-nonylguanidine
CID 111034740
2-nonyl-1-propan-2-ylguanidine
CID 111034727
oxalic acid;2-tetradecylguanidine
CID 88685065
2-pentyl-1-sulfamoylguanidine
CID 119097746
1-dodecyl-3-[(N'-dodecylcarbamimidoyl)carbamothioyl]thiourea
CID 2825027
N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
CID 111030516
1-(N'-hexylcarbamimidoyl)-2-(2,4,4-trimethylpentan-2-yl)guanidine
CID 134103287

Frequently Asked Questions

What is the IUPAC name of (N'-hexylcarbamimidoyl)urea?
The IUPAC name of (N'-hexylcarbamimidoyl)urea (CID 87601330) is (N'-hexylcarbamimidoyl)urea.
What is the SMILES notation for (N'-hexylcarbamimidoyl)urea?
The canonical SMILES for (N'-hexylcarbamimidoyl)urea is CCCCCC/N=C(\N)NC(N)=O.
What is the InChIKey of (N'-hexylcarbamimidoyl)urea?
The InChIKey is NQPHCVSBRKZJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-2-3-4-5-6-11-7(9)12-8(10)13/h2-6H2,1H3,(H5,9,10,11,12,13).
What are the key properties of (N'-hexylcarbamimidoyl)urea?
(N'-hexylcarbamimidoyl)urea has a molecular weight of 186.26 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (N'-hexylcarbamimidoyl)urea is sourced from PubChem (CID 87601330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).