decan-5-ol;1,1-diaminourea

C11H28N4O2 — CID 174750930

IUPACdecan-5-ol;1,1-diaminourea
SMILESCCCCCC(O)CCCC.NC(=O)N(N)N
InChIInChI=1S/C10H22O.CH6N4O/c1-3-5-7-9-10(11)8-6-4-2;2-1(6)5(3)4/h10-11H,3-9H2,1-2H3;3-4H2,(H2,2,6)
InChIKeyBKDYAYRLFFQXBL-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.23
Rot. Bonds7

About decan-5-ol;1,1-diaminourea

decan-5-ol;1,1-diaminourea (PubChem CID 174750930) has the molecular formula C11H28N4O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is decan-5-ol;1,1-diaminourea.

Molecular Properties

Compound Namedecan-5-ol;1,1-diaminourea
PubChem CID174750930
Molecular FormulaC11H28N4O2
Molecular Weight248.37 g/mol
Exact Mass248.22
IUPAC Namedecan-5-ol;1,1-diaminourea
SMILESCCCCCC(O)CCCC.NC(=O)N(N)N
InChIInChI=1S/C10H22O.CH6N4O/c1-3-5-7-9-10(11)8-6-4-2;2-1(6)5(3)4/h10-11H,3-9H2,1-2H3;3-4H2,(H2,2,6)
InChIKeyBKDYAYRLFFQXBL-UHFFFAOYSA-N
XLogP1.23
TPSA118.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.23
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

icosane-5,11-diol
CID 170722582
tritetracontan-5-ol
CID 162898528
(5S)-octadecan-5-ol
CID 98231191
icosane-5,10-diol
CID 170722579
5-hydroxyoctadecanamide
CID 23176537
1,1-diaminourea;dodecane;undecane-1,2-diamine
CID 174889744
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851

Frequently Asked Questions

What is the IUPAC name of decan-5-ol;1,1-diaminourea?
The IUPAC name of decan-5-ol;1,1-diaminourea (CID 174750930) is decan-5-ol;1,1-diaminourea.
What is the SMILES notation for decan-5-ol;1,1-diaminourea?
The canonical SMILES for decan-5-ol;1,1-diaminourea is CCCCCC(O)CCCC.NC(=O)N(N)N.
What is the InChIKey of decan-5-ol;1,1-diaminourea?
The InChIKey is BKDYAYRLFFQXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.CH6N4O/c1-3-5-7-9-10(11)8-6-4-2;2-1(6)5(3)4/h10-11H,3-9H2,1-2H3;3-4H2,(H2,2,6).
What are the key properties of decan-5-ol;1,1-diaminourea?
decan-5-ol;1,1-diaminourea has a molecular weight of 248.37 g/mol, XLogP of 1.23, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decan-5-ol;1,1-diaminourea is sourced from PubChem (CID 174750930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).