1-amino-1-[5-[amino(carbamoyl)amino]pentyl]urea;dihydrochloride

C7H20Cl2N6O2 — CID 174463274

IUPAC1-amino-1-[5-[amino(carbamoyl)amino]pentyl]urea;dihydrochloride
SMILESCl.Cl.NC(=O)N(N)CCCCCN(N)C(N)=O
InChIInChI=1S/C7H18N6O2.2ClH/c8-6(14)12(10)4-2-1-3-5-13(11)7(9)15;;/h1-5,10-11H2,(H2,8,14)(H2,9,15);2*1H
InChIKeyIXBJLHRYNOAITO-UHFFFAOYSA-N
MW291.18 g/mol
LogP-0.49
Rot. Bonds6

About 1-amino-1-[5-[amino(carbamoyl)amino]pentyl]urea;dihydrochloride

1-amino-1-[5-[amino(carbamoyl)amino]pentyl]urea;dihydrochloride (PubChem CID 174463274) has the molecular formula C7H20Cl2N6O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 1-amino-1-[5-[amino(carbamoyl)amino]pentyl]urea;dihydrochloride.

Molecular Properties

Compound Name1-amino-1-[5-[amino(carbamoyl)amino]pentyl]urea;dihydrochloride
PubChem CID174463274
Molecular FormulaC7H20Cl2N6O2
Molecular Weight291.18 g/mol
Exact Mass290.10
IUPAC Name1-amino-1-[5-[amino(carbamoyl)amino]pentyl]urea;dihydrochloride
SMILESCl.Cl.NC(=O)N(N)CCCCCN(N)C(N)=O
InChIInChI=1S/C7H18N6O2.2ClH/c8-6(14)12(10)4-2-1-3-5-13(11)7(9)15;;/h1-5,10-11H2,(H2,8,14)(H2,9,15);2*1H
InChIKeyIXBJLHRYNOAITO-UHFFFAOYSA-N
XLogP-0.49
TPSA144.70 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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

1-amino-1-[28-[amino(carbamoyl)amino]octacosyl]urea
CID 174875426
1-amino-1-[10-[amino(carbamoyl)amino]-5-hydroxydecyl]urea
CID 174619807
1-amino-1-[3-[3-[amino(carbamoyl)amino]propylamino]propyl]urea
CID 174815065
1-amino-1-[8-[amino(carbamoyl)amino]-4-(2-aminoethyl)octyl]urea
CID 174894318
1-amino-1-[5-[amino(carbamoyl)amino]-3-oxopentyl]urea
CID 174870360
5-[amino(carbamoyl)amino]-2-[[amino(carbamoyl)amino]methyl]pentanoic acid;dihydrochloride
CID 174417262
1-amino-1-(4-phenylbutyl)urea
CID 170908979
2,5-bis[amino(carbamoyl)amino]-2-(difluoromethyl)pentanoic acid
CID 174452815
1-[6-[carbamoyl(octadecyl)amino]hexyl]-1-octadecylurea
CID 87213493
1-amino-1-(hydrazinylmethyl)urea
CID 139339584
1-amino-1-[12-[amino(carbamoyl)amino]dodecyl]urea;(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 174441518
1-butyl-1-dodecylurea
CID 168918855

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[5-[amino(carbamoyl)amino]pentyl]urea;dihydrochloride?
The IUPAC name of 1-amino-1-[5-[amino(carbamoyl)amino]pentyl]urea;dihydrochloride (CID 174463274) is 1-amino-1-[5-[amino(carbamoyl)amino]pentyl]urea;dihydrochloride.
What is the SMILES notation for 1-amino-1-[5-[amino(carbamoyl)amino]pentyl]urea;dihydrochloride?
The canonical SMILES for 1-amino-1-[5-[amino(carbamoyl)amino]pentyl]urea;dihydrochloride is Cl.Cl.NC(=O)N(N)CCCCCN(N)C(N)=O.
What is the InChIKey of 1-amino-1-[5-[amino(carbamoyl)amino]pentyl]urea;dihydrochloride?
The InChIKey is IXBJLHRYNOAITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N6O2.2ClH/c8-6(14)12(10)4-2-1-3-5-13(11)7(9)15;;/h1-5,10-11H2,(H2,8,14)(H2,9,15);2*1H.
What are the key properties of 1-amino-1-[5-[amino(carbamoyl)amino]pentyl]urea;dihydrochloride?
1-amino-1-[5-[amino(carbamoyl)amino]pentyl]urea;dihydrochloride has a molecular weight of 291.18 g/mol, XLogP of -0.49, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[5-[amino(carbamoyl)amino]pentyl]urea;dihydrochloride is sourced from PubChem (CID 174463274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).