CID 177477585

C9H19N3O — CID 177477585

IUPAC—
SMILESCCCCN(CCCC)C(=O)N[N]
InChIInChI=1S/C9H19N3O/c1-3-5-7-12(8-6-4-2)9(13)11-10/h3-8H2,1-2H3,(H,11,13)
InChIKeyJWEZRBPSKFOZBM-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.58
Rot. Bonds6

About CID 177477585

CID 177477585 (PubChem CID 177477585) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol.

Molecular Properties

Compound NameCID 177477585
PubChem CID177477585
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name—
SMILESCCCCN(CCCC)C(=O)N[N]
InChIInChI=1S/C9H19N3O/c1-3-5-7-12(8-6-4-2)9(13)11-10/h3-8H2,1-2H3,(H,11,13)
InChIKeyJWEZRBPSKFOZBM-UHFFFAOYSA-N
XLogP1.58
TPSA54.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 177477585 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

1,1-dibutyl-3-tert-butylurea
CID 11413547
3-methyl-1-pentyl-1-propylurea
CID 134269758
1-butyl-1-(2-hydroxyethyl)-3-propan-2-ylurea
CID 60781183
1,1,3-tri(undecyl)urea
CID 168918847
3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65266173
5-(dibutylcarbamoylamino)-5-oxopentanoic acid
CID 28983456
3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid
CID 115428326
2-(dibutylcarbamoylamino)-2-methylbutanoic acid
CID 79798187
methane;1,1,3-trioctylurea
CID 163789497
N,N-dibutylcarbamoyl chloride;hydrochloride
CID 141018315
1,1-dibutyl-3-(3,5-dihydroxyphenyl)urea
CID 108895483
1-butyl-3-cyclopentyl-1-propylurea
CID 108902721

Frequently Asked Questions

What is the IUPAC name of CID 177477585?
The IUPAC name of CID 177477585 (CID 177477585) is not available.
What is the SMILES notation for CID 177477585?
The canonical SMILES for CID 177477585 is CCCCN(CCCC)C(=O)N[N].
What is the InChIKey of CID 177477585?
The InChIKey is JWEZRBPSKFOZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-5-7-12(8-6-4-2)9(13)11-10/h3-8H2,1-2H3,(H,11,13).
What are the key properties of CID 177477585?
CID 177477585 has a molecular weight of 185.27 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177477585 is sourced from PubChem (CID 177477585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).