N,N-diamino-2-tert-butyl-4,4-dimethylpentanamide

C11H25N3O — CID 174169742

IUPACN,N-diamino-2-tert-butyl-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(C(=O)N(N)N)C(C)(C)C
InChIInChI=1S/C11H25N3O/c1-10(2,3)7-8(11(4,5)6)9(15)14(12)13/h8H,7,12-13H2,1-6H3
InChIKeyCTEVBWXQZGTXNT-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.66
Rot. Bonds2

About N,N-diamino-2-tert-butyl-4,4-dimethylpentanamide

N,N-diamino-2-tert-butyl-4,4-dimethylpentanamide (PubChem CID 174169742) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is N,N-diamino-2-tert-butyl-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN,N-diamino-2-tert-butyl-4,4-dimethylpentanamide
PubChem CID174169742
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC NameN,N-diamino-2-tert-butyl-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(C(=O)N(N)N)C(C)(C)C
InChIInChI=1S/C11H25N3O/c1-10(2,3)7-8(11(4,5)6)9(15)14(12)13/h8H,7,12-13H2,1-6H3
InChIKeyCTEVBWXQZGTXNT-UHFFFAOYSA-N
XLogP1.66
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-5,5-dimethylhexan-2-one
CID 89376831
4-tert-butyl-2,2,6,6-tetramethylheptan-3-one
CID 157168171
2-tert-butyl-N,N-didodecyl-4,4-dimethylpentanamide
CID 89240534
acetyl 2-tert-butyl-4,4-dimethylpentanoate
CID 89383635
[(2-tert-butyl-4,4-dimethylpentanoyl)-iodoamino]methyl prop-2-enoate
CID 170127921
2-[2-[2-(2-tert-butyl-4,4-dimethylpentanoyl)oxyethoxy]ethoxy]ethyl 2-tert-butyl-4,4-dimethylpentanoate
CID 166861272
2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide
CID 144616082
N-(2-amino-2-oxoethyl)-2-tert-butyl-4,4-dimethylpentanamide
CID 88988167
5-tert-butyl-3-hydroxy-3,7,7-trimethyloctan-4-one
CID 89370533
2-tert-butyl-N-ethyl-4,4-dimethylpentanamide
CID 88561290
2-tert-butyl-4,4-dimethyl-N-propylpentanamide
CID 121265105
(2R)-2-amino-3,5,5-trimethylhexanoic acid
CID 175049210

Frequently Asked Questions

What is the IUPAC name of N,N-diamino-2-tert-butyl-4,4-dimethylpentanamide?
The IUPAC name of N,N-diamino-2-tert-butyl-4,4-dimethylpentanamide (CID 174169742) is N,N-diamino-2-tert-butyl-4,4-dimethylpentanamide.
What is the SMILES notation for N,N-diamino-2-tert-butyl-4,4-dimethylpentanamide?
The canonical SMILES for N,N-diamino-2-tert-butyl-4,4-dimethylpentanamide is CC(C)(C)CC(C(=O)N(N)N)C(C)(C)C.
What is the InChIKey of N,N-diamino-2-tert-butyl-4,4-dimethylpentanamide?
The InChIKey is CTEVBWXQZGTXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-10(2,3)7-8(11(4,5)6)9(15)14(12)13/h8H,7,12-13H2,1-6H3.
What are the key properties of N,N-diamino-2-tert-butyl-4,4-dimethylpentanamide?
N,N-diamino-2-tert-butyl-4,4-dimethylpentanamide has a molecular weight of 215.34 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diamino-2-tert-butyl-4,4-dimethylpentanamide is sourced from PubChem (CID 174169742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).