N-[2-(diaminomethylideneamino)ethyl]-3,3-dimethylbutanamide

C9H20N4O — CID 126603358

IUPACN-[2-(diaminomethylideneamino)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCN=C(N)N
InChIInChI=1S/C9H20N4O/c1-9(2,3)6-7(14)12-4-5-13-8(10)11/h4-6H2,1-3H3,(H,12,14)(H4,10,11,13)
InChIKeyGDWHVXXTQPRFMQ-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.19
Rot. Bonds4

About N-[2-(diaminomethylideneamino)ethyl]-3,3-dimethylbutanamide

N-[2-(diaminomethylideneamino)ethyl]-3,3-dimethylbutanamide (PubChem CID 126603358) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is N-[2-(diaminomethylideneamino)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(diaminomethylideneamino)ethyl]-3,3-dimethylbutanamide
PubChem CID126603358
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC NameN-[2-(diaminomethylideneamino)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCN=C(N)N
InChIInChI=1S/C9H20N4O/c1-9(2,3)6-7(14)12-4-5-13-8(10)11/h4-6H2,1-3H3,(H,12,14)(H4,10,11,13)
InChIKeyGDWHVXXTQPRFMQ-UHFFFAOYSA-N
XLogP-0.19
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.19
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'}

Analyze N-[2-(diaminomethylideneamino)ethyl]-3,3-dimethylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

Propanoylagmatine
CID 439760
N-(2-Aminoethyl)-3,3-dimethylbutanamide
CID 16790460
2-(2,2-Dimethylbutanoylamino)ethyl-trimethylazanium
CID 20575921
N-[2-(dimethylamino)ethyl]-2,2-dimethylbutanamide
CID 20627204
2-(3,3-Dimethylbutanoylamino)ethyl-trimethylazanium
CID 20759283
N-[2-(3,3-dimethylbutanoylamino)ethyl]-3,3-dimethylbutanamide
CID 20759347
N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide
CID 20759356
N-[2-(2-aminoethylamino)ethyl]-2,2-dimethylbutanamide
CID 23553907
N-(2-aminoethyl)-2,2-dimethylbutanamide
CID 23553908
N-[4-(diaminomethylideneamino)butyl]-2,2-dimethylbutanamide
CID 23553913
N-[4-(diaminomethylideneamino)butyl]-2-methylbutanamide
CID 23553915
N-[2-[bis(2-aminoethyl)amino]ethyl]-2,2-dimethylbutanamide
CID 57578622

Frequently Asked Questions

What is the IUPAC name of N-[2-(diaminomethylideneamino)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(diaminomethylideneamino)ethyl]-3,3-dimethylbutanamide (CID 126603358) is N-[2-(diaminomethylideneamino)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(diaminomethylideneamino)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(diaminomethylideneamino)ethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCCN=C(N)N.
What is the InChIKey of N-[2-(diaminomethylideneamino)ethyl]-3,3-dimethylbutanamide?
The InChIKey is GDWHVXXTQPRFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-9(2,3)6-7(14)12-4-5-13-8(10)11/h4-6H2,1-3H3,(H,12,14)(H4,10,11,13).
What are the key properties of N-[2-(diaminomethylideneamino)ethyl]-3,3-dimethylbutanamide?
N-[2-(diaminomethylideneamino)ethyl]-3,3-dimethylbutanamide has a molecular weight of 200.29 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diaminomethylideneamino)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 126603358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).