1,3-diaminourea;pentan-2-ol;phosphane

C6H21N4O2P — CID 174890706

IUPAC1,3-diaminourea;pentan-2-ol;phosphane
SMILESCCCC(C)O.NNC(=O)NN.P
InChIInChI=1S/C5H12O.CH6N4O.H3P/c1-3-4-5(2)6;2-4-1(6)5-3;/h5-6H,3-4H2,1-2H3;2-3H2,(H2,4,5,6);1H3
InChIKeyKZNBRHGOGDNYEG-UHFFFAOYSA-N
MW212.23 g/mol
LogP-0.74
Rot. Bonds2

About 1,3-diaminourea;pentan-2-ol;phosphane

1,3-diaminourea;pentan-2-ol;phosphane (PubChem CID 174890706) has the molecular formula C6H21N4O2P and a molecular weight of 212.23 g/mol. Its IUPAC name is 1,3-diaminourea;pentan-2-ol;phosphane.

Molecular Properties

Compound Name1,3-diaminourea;pentan-2-ol;phosphane
PubChem CID174890706
Molecular FormulaC6H21N4O2P
Molecular Weight212.23 g/mol
Exact Mass212.14
IUPAC Name1,3-diaminourea;pentan-2-ol;phosphane
SMILESCCCC(C)O.NNC(=O)NN.P
InChIInChI=1S/C5H12O.CH6N4O.H3P/c1-3-4-5(2)6;2-4-1(6)5-3;/h5-6H,3-4H2,1-2H3;2-3H2,(H2,4,5,6);1H3
InChIKeyKZNBRHGOGDNYEG-UHFFFAOYSA-N
XLogP-0.74
TPSA113.40 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-0.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2R)-pentan-2-ol
CID 7014876
2-methylpentanehydrazide
CID 43183484
cyclohexane;pentan-2-ol
CID 67677243
hexan-2-ol;pentan-2-ol
CID 88680973
N'-pentan-2-ylpropanediamide
CID 88934201
ethoxyethane;(2S)-pentan-2-ol
CID 157362053
magnesium 1,3-diaminourea
CID 22123853
CID 172800195
CID 172800195
2-methylbutan-2-ol;pentan-2-ol
CID 157230462
2-(3-hydroxybutylamino)-N-propylpropanamide
CID 64913708
1,3-diaminourea;propan-2-yl dihydrogen phosphate
CID 162135327
1-(2-hydroxypropyl)-3-propylurea
CID 12876542

Frequently Asked Questions

What is the IUPAC name of 1,3-diaminourea;pentan-2-ol;phosphane?
The IUPAC name of 1,3-diaminourea;pentan-2-ol;phosphane (CID 174890706) is 1,3-diaminourea;pentan-2-ol;phosphane.
What is the SMILES notation for 1,3-diaminourea;pentan-2-ol;phosphane?
The canonical SMILES for 1,3-diaminourea;pentan-2-ol;phosphane is CCCC(C)O.NNC(=O)NN.P.
What is the InChIKey of 1,3-diaminourea;pentan-2-ol;phosphane?
The InChIKey is KZNBRHGOGDNYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.CH6N4O.H3P/c1-3-4-5(2)6;2-4-1(6)5-3;/h5-6H,3-4H2,1-2H3;2-3H2,(H2,4,5,6);1H3.
What are the key properties of 1,3-diaminourea;pentan-2-ol;phosphane?
1,3-diaminourea;pentan-2-ol;phosphane has a molecular weight of 212.23 g/mol, XLogP of -0.74, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diaminourea;pentan-2-ol;phosphane is sourced from PubChem (CID 174890706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).