1,1-diaminourea;dodecane;undecane-1,2-diamine

C24H58N6O — CID 174889744

IUPAC1,1-diaminourea;dodecane;undecane-1,2-diamine
SMILESCCCCCCCCCC(N)CN.CCCCCCCCCCCC.NC(=O)N(N)N
InChIInChI=1S/C12H26.C11H26N2.CH6N4O/c1-3-5-7-9-11-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-11(13)10-12;2-1(6)5(3)4/h3-12H2,1-2H3;11H,2-10,12-13H2,1H3;3-4H2,(H2,2,6)
InChIKeyCUNCZQPCPJQZKZ-UHFFFAOYSA-N
MW446.77 g/mol
LogP5.45
Rot. Bonds18

About 1,1-diaminourea;dodecane;undecane-1,2-diamine

1,1-diaminourea;dodecane;undecane-1,2-diamine (PubChem CID 174889744) has the molecular formula C24H58N6O and a molecular weight of 446.77 g/mol. Its IUPAC name is 1,1-diaminourea;dodecane;undecane-1,2-diamine.

Molecular Properties

Compound Name1,1-diaminourea;dodecane;undecane-1,2-diamine
PubChem CID174889744
Molecular FormulaC24H58N6O
Molecular Weight446.77 g/mol
Exact Mass446.47
IUPAC Name1,1-diaminourea;dodecane;undecane-1,2-diamine
SMILESCCCCCCCCCC(N)CN.CCCCCCCCCCCC.NC(=O)N(N)N
InChIInChI=1S/C12H26.C11H26N2.CH6N4O/c1-3-5-7-9-11-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-11(13)10-12;2-1(6)5(3)4/h3-12H2,1-2H3;11H,2-10,12-13H2,1H3;3-4H2,(H2,2,6)
InChIKeyCUNCZQPCPJQZKZ-UHFFFAOYSA-N
XLogP5.45
TPSA150.41 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.77
LogP ≤ 55.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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'}

Analyze 1,1-diaminourea;dodecane;undecane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-decane-1,2-diamine
CID 102595281
decane-1,2-diamine
CID 517618
sodium;heptane-1,2-diamine;hydride;propanoic acid
CID 175479075
decan-5-ol;1,1-diaminourea
CID 174750930
dodecane-1,2-diamine;dodecane-1,12-diamine
CID 88743619
3-aminoundecanamide
CID 154005326
3-aminononanoic acid
CID 2832746
acetic acid;heptatriacontan-19-amine
CID 173373447
nonapentacontan-30-amine
CID 118952570
pentacosan-7-amine
CID 88938409
sodium;3-aminohenicosanoic acid;hydride
CID 175144455
5,6-diaminohexanamide
CID 163484084

Frequently Asked Questions

What is the IUPAC name of 1,1-diaminourea;dodecane;undecane-1,2-diamine?
The IUPAC name of 1,1-diaminourea;dodecane;undecane-1,2-diamine (CID 174889744) is 1,1-diaminourea;dodecane;undecane-1,2-diamine.
What is the SMILES notation for 1,1-diaminourea;dodecane;undecane-1,2-diamine?
The canonical SMILES for 1,1-diaminourea;dodecane;undecane-1,2-diamine is CCCCCCCCCC(N)CN.CCCCCCCCCCCC.NC(=O)N(N)N.
What is the InChIKey of 1,1-diaminourea;dodecane;undecane-1,2-diamine?
The InChIKey is CUNCZQPCPJQZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.C11H26N2.CH6N4O/c1-3-5-7-9-11-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-11(13)10-12;2-1(6)5(3)4/h3-12H2,1-2H3;11H,2-10,12-13H2,1H3;3-4H2,(H2,2,6).
What are the key properties of 1,1-diaminourea;dodecane;undecane-1,2-diamine?
1,1-diaminourea;dodecane;undecane-1,2-diamine has a molecular weight of 446.77 g/mol, XLogP of 5.45, 18 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diaminourea;dodecane;undecane-1,2-diamine is sourced from PubChem (CID 174889744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).