N-(ethylamino)-N'-methylhexanimidamide

C9H21N3 — CID 144800585

IUPACN-(ethylamino)-N'-methylhexanimidamide
SMILESCCCCC/C(=N\C)NNCC
InChIInChI=1S/C9H21N3/c1-4-6-7-8-9(10-3)12-11-5-2/h11H,4-8H2,1-3H3,(H,10,12)
InChIKeyNVJRIISIEVZKDM-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.71
Rot. Bonds6

About N-(ethylamino)-N'-methylhexanimidamide

N-(ethylamino)-N'-methylhexanimidamide (PubChem CID 144800585) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is N-(ethylamino)-N'-methylhexanimidamide.

Molecular Properties

Compound NameN-(ethylamino)-N'-methylhexanimidamide
PubChem CID144800585
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC NameN-(ethylamino)-N'-methylhexanimidamide
SMILESCCCCC/C(=N\C)NNCC
InChIInChI=1S/C9H21N3/c1-4-6-7-8-9(10-3)12-11-5-2/h11H,4-8H2,1-3H3,(H,10,12)
InChIKeyNVJRIISIEVZKDM-UHFFFAOYSA-N
XLogP1.71
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(ethylamino)-N'-methylhexanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(ethylamino)-N'-methylhexanimidamide?
The IUPAC name of N-(ethylamino)-N'-methylhexanimidamide (CID 144800585) is N-(ethylamino)-N'-methylhexanimidamide.
What is the SMILES notation for N-(ethylamino)-N'-methylhexanimidamide?
The canonical SMILES for N-(ethylamino)-N'-methylhexanimidamide is CCCCC/C(=N\C)NNCC.
What is the InChIKey of N-(ethylamino)-N'-methylhexanimidamide?
The InChIKey is NVJRIISIEVZKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-4-6-7-8-9(10-3)12-11-5-2/h11H,4-8H2,1-3H3,(H,10,12).
What are the key properties of N-(ethylamino)-N'-methylhexanimidamide?
N-(ethylamino)-N'-methylhexanimidamide has a molecular weight of 171.29 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylamino)-N'-methylhexanimidamide is sourced from PubChem (CID 144800585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).