N-tert-butyldiazinane-1-carboxamide

C9H19N3O — CID 130940224

IUPACN-tert-butyldiazinane-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCCCN1
InChIInChI=1S/C9H19N3O/c1-9(2,3)11-8(13)12-7-5-4-6-10-12/h10H,4-7H2,1-3H3,(H,11,13)
InChIKeyFXYOZTZLOMTACY-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.09
Rot. Bonds

About N-tert-butyldiazinane-1-carboxamide

N-tert-butyldiazinane-1-carboxamide (PubChem CID 130940224) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-tert-butyldiazinane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyldiazinane-1-carboxamide
PubChem CID130940224
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-tert-butyldiazinane-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCCCN1
InChIInChI=1S/C9H19N3O/c1-9(2,3)11-8(13)12-7-5-4-6-10-12/h10H,4-7H2,1-3H3,(H,11,13)
InChIKeyFXYOZTZLOMTACY-UHFFFAOYSA-N
XLogP1.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-tert-butyldiazinane-1-carboxamide 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 N-tert-butyldiazinane-1-carboxamide?
The IUPAC name of N-tert-butyldiazinane-1-carboxamide (CID 130940224) is N-tert-butyldiazinane-1-carboxamide.
What is the SMILES notation for N-tert-butyldiazinane-1-carboxamide?
The canonical SMILES for N-tert-butyldiazinane-1-carboxamide is CC(C)(C)NC(=O)N1CCCCN1.
What is the InChIKey of N-tert-butyldiazinane-1-carboxamide?
The InChIKey is FXYOZTZLOMTACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-9(2,3)11-8(13)12-7-5-4-6-10-12/h10H,4-7H2,1-3H3,(H,11,13).
What are the key properties of N-tert-butyldiazinane-1-carboxamide?
N-tert-butyldiazinane-1-carboxamide has a molecular weight of 185.27 g/mol, XLogP of 1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyldiazinane-1-carboxamide is sourced from PubChem (CID 130940224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).