1-amino-1-[10-[amino(carbamoyl)amino]-5-hydroxydecyl]urea

C12H28N6O3 — CID 174619807

IUPAC1-amino-1-[10-[amino(carbamoyl)amino]-5-hydroxydecyl]urea
SMILESNC(=O)N(N)CCCCCC(O)CCCCN(N)C(N)=O
InChIInChI=1S/C12H28N6O3/c13-11(20)17(15)8-4-1-2-6-10(19)7-3-5-9-18(16)12(14)21/h10,19H,1-9,15-16H2,(H2,13,20)(H2,14,21)
InChIKeySDXAXSWBZRBUIT-UHFFFAOYSA-N
MW304.40 g/mol
LogP-0.41
Rot. Bonds11

About 1-amino-1-[10-[amino(carbamoyl)amino]-5-hydroxydecyl]urea

1-amino-1-[10-[amino(carbamoyl)amino]-5-hydroxydecyl]urea (PubChem CID 174619807) has the molecular formula C12H28N6O3 and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-amino-1-[10-[amino(carbamoyl)amino]-5-hydroxydecyl]urea.

Molecular Properties

Compound Name1-amino-1-[10-[amino(carbamoyl)amino]-5-hydroxydecyl]urea
PubChem CID174619807
Molecular FormulaC12H28N6O3
Molecular Weight304.40 g/mol
Exact Mass304.22
IUPAC Name1-amino-1-[10-[amino(carbamoyl)amino]-5-hydroxydecyl]urea
SMILESNC(=O)N(N)CCCCCC(O)CCCCN(N)C(N)=O
InChIInChI=1S/C12H28N6O3/c13-11(20)17(15)8-4-1-2-6-10(19)7-3-5-9-18(16)12(14)21/h10,19H,1-9,15-16H2,(H2,13,20)(H2,14,21)
InChIKeySDXAXSWBZRBUIT-UHFFFAOYSA-N
XLogP-0.41
TPSA164.93 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 5-0.41
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-amino-1-[10-[amino(carbamoyl)amino]-5-hydroxydecyl]urea 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

1-amino-1-[28-[amino(carbamoyl)amino]octacosyl]urea
CID 174875426
1-amino-1-[5-[amino(carbamoyl)amino]pentyl]urea;dihydrochloride
CID 174463274
decan-5-ol;1,1-diaminourea
CID 174750930
1-amino-1-[3-[3-[amino(carbamoyl)amino]propylamino]propyl]urea
CID 174815065
5-[amino(carbamoyl)amino]-2-[[amino(carbamoyl)amino]methyl]pentanoic acid;dihydrochloride
CID 174417262
1-amino-1-[5-[amino(carbamoyl)amino]-3-oxopentyl]urea
CID 174870360
5-hydroxyoctadecanamide
CID 23176537
7-[carbamoyl-(4-hydroxy-8,8-dimethylnonyl)amino]heptanoic acid
CID 54091292
8-amino-3-hydroxyoctanamide
CID 22149893
5-hydroxytridecanedioic acid
CID 139805426
5-hydroxyoctacosyl 2-hydroxyoctadecanoate
CID 160811798
6-N-(8-amino-2-methyloctan-2-yl)-1-N-(7-methyloctyl)hexanedihydrazide
CID 143623930

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[10-[amino(carbamoyl)amino]-5-hydroxydecyl]urea?
The IUPAC name of 1-amino-1-[10-[amino(carbamoyl)amino]-5-hydroxydecyl]urea (CID 174619807) is 1-amino-1-[10-[amino(carbamoyl)amino]-5-hydroxydecyl]urea.
What is the SMILES notation for 1-amino-1-[10-[amino(carbamoyl)amino]-5-hydroxydecyl]urea?
The canonical SMILES for 1-amino-1-[10-[amino(carbamoyl)amino]-5-hydroxydecyl]urea is NC(=O)N(N)CCCCCC(O)CCCCN(N)C(N)=O.
What is the InChIKey of 1-amino-1-[10-[amino(carbamoyl)amino]-5-hydroxydecyl]urea?
The InChIKey is SDXAXSWBZRBUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N6O3/c13-11(20)17(15)8-4-1-2-6-10(19)7-3-5-9-18(16)12(14)21/h10,19H,1-9,15-16H2,(H2,13,20)(H2,14,21).
What are the key properties of 1-amino-1-[10-[amino(carbamoyl)amino]-5-hydroxydecyl]urea?
1-amino-1-[10-[amino(carbamoyl)amino]-5-hydroxydecyl]urea has a molecular weight of 304.40 g/mol, XLogP of -0.41, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[10-[amino(carbamoyl)amino]-5-hydroxydecyl]urea is sourced from PubChem (CID 174619807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).