N-[3-[ethyl(methyl)amino]propyl]-2-[(methylideneamino)methylideneamino]acetamide

C10H20N4O — CID 90245695

IUPACN-[3-[ethyl(methyl)amino]propyl]-2-[(methylideneamino)methylideneamino]acetamide
SMILESC=N/C=N/CC(=O)NCCCN(C)CC
InChIInChI=1S/C10H20N4O/c1-4-14(3)7-5-6-13-10(15)8-12-9-11-2/h9H,2,4-8H2,1,3H3,(H,13,15)/b12-9+
InChIKeyIQEQNHGAXSXVHY-FMIVXFBMSA-N
MW212.30 g/mol
LogP0.17
Rot. Bonds8

About N-[3-[ethyl(methyl)amino]propyl]-2-[(methylideneamino)methylideneamino]acetamide

N-[3-[ethyl(methyl)amino]propyl]-2-[(methylideneamino)methylideneamino]acetamide (PubChem CID 90245695) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N-[3-[ethyl(methyl)amino]propyl]-2-[(methylideneamino)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[3-[ethyl(methyl)amino]propyl]-2-[(methylideneamino)methylideneamino]acetamide
PubChem CID90245695
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN-[3-[ethyl(methyl)amino]propyl]-2-[(methylideneamino)methylideneamino]acetamide
SMILESC=N/C=N/CC(=O)NCCCN(C)CC
InChIInChI=1S/C10H20N4O/c1-4-14(3)7-5-6-13-10(15)8-12-9-11-2/h9H,2,4-8H2,1,3H3,(H,13,15)/b12-9+
InChIKeyIQEQNHGAXSXVHY-FMIVXFBMSA-N
XLogP0.17
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methyl)amino]propyl]-2-[(methylideneamino)methylideneamino]acetamide?
The IUPAC name of N-[3-[ethyl(methyl)amino]propyl]-2-[(methylideneamino)methylideneamino]acetamide (CID 90245695) is N-[3-[ethyl(methyl)amino]propyl]-2-[(methylideneamino)methylideneamino]acetamide.
What is the SMILES notation for N-[3-[ethyl(methyl)amino]propyl]-2-[(methylideneamino)methylideneamino]acetamide?
The canonical SMILES for N-[3-[ethyl(methyl)amino]propyl]-2-[(methylideneamino)methylideneamino]acetamide is C=N/C=N/CC(=O)NCCCN(C)CC.
What is the InChIKey of N-[3-[ethyl(methyl)amino]propyl]-2-[(methylideneamino)methylideneamino]acetamide?
The InChIKey is IQEQNHGAXSXVHY-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H20N4O/c1-4-14(3)7-5-6-13-10(15)8-12-9-11-2/h9H,2,4-8H2,1,3H3,(H,13,15)/b12-9+.
What are the key properties of N-[3-[ethyl(methyl)amino]propyl]-2-[(methylideneamino)methylideneamino]acetamide?
N-[3-[ethyl(methyl)amino]propyl]-2-[(methylideneamino)methylideneamino]acetamide has a molecular weight of 212.30 g/mol, XLogP of 0.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methyl)amino]propyl]-2-[(methylideneamino)methylideneamino]acetamide is sourced from PubChem (CID 90245695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).