N-[4-(diaminomethylideneamino)butyl]-2,2-dimethylbutanamide

C11H24N4O — CID 23553913

IUPACN-[4-(diaminomethylideneamino)butyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCCCN=C(N)N
InChIInChI=1S/C11H24N4O/c1-4-11(2,3)9(16)14-7-5-6-8-15-10(12)13/h4-8H2,1-3H3,(H,14,16)(H4,12,13,15)
InChIKeySXYSLHLZOQQEDQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.59
Rot. Bonds7

About N-[4-(diaminomethylideneamino)butyl]-2,2-dimethylbutanamide

N-[4-(diaminomethylideneamino)butyl]-2,2-dimethylbutanamide (PubChem CID 23553913) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[4-(diaminomethylideneamino)butyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-(diaminomethylideneamino)butyl]-2,2-dimethylbutanamide
PubChem CID23553913
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC NameN-[4-(diaminomethylideneamino)butyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCCCN=C(N)N
InChIInChI=1S/C11H24N4O/c1-4-11(2,3)9(16)14-7-5-6-8-15-10(12)13/h4-8H2,1-3H3,(H,14,16)(H4,12,13,15)
InChIKeySXYSLHLZOQQEDQ-UHFFFAOYSA-N
XLogP0.59
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Acetylagmatine
CID 439661
Propanoylagmatine
CID 439760
N-ethyl-2,2-dimethylbutanamide
CID 4635087
N-ethyl-3,3-dimethylbutanamide
CID 222587
N-butyl-3,3-dimethylbutanamide
CID 3523337
N-butyl-2,2-dimethylbutanamide
CID 3523338
3,3-dimethyl-N-propylbutanamide
CID 4474209
2,2-dimethyl-N-propylbutanamide
CID 4474210
N-(3-aminopropyl)-2,2-dimethylbutanamide
CID 22974841
N-[4-(diaminomethylideneamino)butyl]-2-methylbutanamide
CID 23553915
N-(3-aminopropyl)-3,3-dimethylbutanamide
CID 24703747
3,3-dimethyl-N-[3-(methylamino)propyl]butanamide
CID 43600677

Frequently Asked Questions

What is the IUPAC name of N-[4-(diaminomethylideneamino)butyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[4-(diaminomethylideneamino)butyl]-2,2-dimethylbutanamide (CID 23553913) is N-[4-(diaminomethylideneamino)butyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[4-(diaminomethylideneamino)butyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[4-(diaminomethylideneamino)butyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCCCCN=C(N)N.
What is the InChIKey of N-[4-(diaminomethylideneamino)butyl]-2,2-dimethylbutanamide?
The InChIKey is SXYSLHLZOQQEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-4-11(2,3)9(16)14-7-5-6-8-15-10(12)13/h4-8H2,1-3H3,(H,14,16)(H4,12,13,15).
What are the key properties of N-[4-(diaminomethylideneamino)butyl]-2,2-dimethylbutanamide?
N-[4-(diaminomethylideneamino)butyl]-2,2-dimethylbutanamide has a molecular weight of 228.34 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diaminomethylideneamino)butyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 23553913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).