1,1-dimethyl-3-[2-(1-oxaspiro[4.5]decan-2-ylmethylamino)ethyl]urea

C15H29N3O2 — CID 102897714

IUPAC1,1-dimethyl-3-[2-(1-oxaspiro[4.5]decan-2-ylmethylamino)ethyl]urea
SMILESCN(C)C(=O)NCCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H29N3O2/c1-18(2)14(19)17-11-10-16-12-13-6-9-15(20-13)7-4-3-5-8-15/h13,16H,3-12H2,1-2H3,(H,17,19)
InChIKeyWVFJRYGCPSIMHZ-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.73
Rot. Bonds5

About 1,1-dimethyl-3-[2-(1-oxaspiro[4.5]decan-2-ylmethylamino)ethyl]urea

1,1-dimethyl-3-[2-(1-oxaspiro[4.5]decan-2-ylmethylamino)ethyl]urea (PubChem CID 102897714) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-(1-oxaspiro[4.5]decan-2-ylmethylamino)ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-(1-oxaspiro[4.5]decan-2-ylmethylamino)ethyl]urea
PubChem CID102897714
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1,1-dimethyl-3-[2-(1-oxaspiro[4.5]decan-2-ylmethylamino)ethyl]urea
SMILESCN(C)C(=O)NCCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H29N3O2/c1-18(2)14(19)17-11-10-16-12-13-6-9-15(20-13)7-4-3-5-8-15/h13,16H,3-12H2,1-2H3,(H,17,19)
InChIKeyWVFJRYGCPSIMHZ-UHFFFAOYSA-N
XLogP1.73
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,1-dimethyl-3-[2-(1-oxaspiro[4.5]decan-2-ylmethylamino)ethyl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-(1-oxaspiro[4.5]decan-2-ylmethylamino)ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-(1-oxaspiro[4.5]decan-2-ylmethylamino)ethyl]urea (CID 102897714) is 1,1-dimethyl-3-[2-(1-oxaspiro[4.5]decan-2-ylmethylamino)ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-(1-oxaspiro[4.5]decan-2-ylmethylamino)ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-(1-oxaspiro[4.5]decan-2-ylmethylamino)ethyl]urea is CN(C)C(=O)NCCNCC1CCC2(CCCCC2)O1.
What is the InChIKey of 1,1-dimethyl-3-[2-(1-oxaspiro[4.5]decan-2-ylmethylamino)ethyl]urea?
The InChIKey is WVFJRYGCPSIMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-18(2)14(19)17-11-10-16-12-13-6-9-15(20-13)7-4-3-5-8-15/h13,16H,3-12H2,1-2H3,(H,17,19).
What are the key properties of 1,1-dimethyl-3-[2-(1-oxaspiro[4.5]decan-2-ylmethylamino)ethyl]urea?
1,1-dimethyl-3-[2-(1-oxaspiro[4.5]decan-2-ylmethylamino)ethyl]urea has a molecular weight of 283.42 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-(1-oxaspiro[4.5]decan-2-ylmethylamino)ethyl]urea is sourced from PubChem (CID 102897714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).