N-tert-butyl-3,3-bis(methylamino)propanamide

C9H21N3O — CID 91188322

IUPACN-tert-butyl-3,3-bis(methylamino)propanamide
SMILESCNC(CC(=O)NC(C)(C)C)NC
InChIInChI=1S/C9H21N3O/c1-9(2,3)12-8(13)6-7(10-4)11-5/h7,10-11H,6H2,1-5H3,(H,12,13)
InChIKeyDOAWJWGOAVPBDR-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.06
Rot. Bonds4

About N-tert-butyl-3,3-bis(methylamino)propanamide

N-tert-butyl-3,3-bis(methylamino)propanamide (PubChem CID 91188322) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is N-tert-butyl-3,3-bis(methylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3,3-bis(methylamino)propanamide
PubChem CID91188322
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC NameN-tert-butyl-3,3-bis(methylamino)propanamide
SMILESCNC(CC(=O)NC(C)(C)C)NC
InChIInChI=1S/C9H21N3O/c1-9(2,3)12-8(13)6-7(10-4)11-5/h7,10-11H,6H2,1-5H3,(H,12,13)
InChIKeyDOAWJWGOAVPBDR-UHFFFAOYSA-N
XLogP0.06
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-bis(methylamino)propanamide?
The IUPAC name of N-tert-butyl-3,3-bis(methylamino)propanamide (CID 91188322) is N-tert-butyl-3,3-bis(methylamino)propanamide.
What is the SMILES notation for N-tert-butyl-3,3-bis(methylamino)propanamide?
The canonical SMILES for N-tert-butyl-3,3-bis(methylamino)propanamide is CNC(CC(=O)NC(C)(C)C)NC.
What is the InChIKey of N-tert-butyl-3,3-bis(methylamino)propanamide?
The InChIKey is DOAWJWGOAVPBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-9(2,3)12-8(13)6-7(10-4)11-5/h7,10-11H,6H2,1-5H3,(H,12,13).
What are the key properties of N-tert-butyl-3,3-bis(methylamino)propanamide?
N-tert-butyl-3,3-bis(methylamino)propanamide has a molecular weight of 187.29 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-bis(methylamino)propanamide is sourced from PubChem (CID 91188322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).