2-[[amino-(hexylamino)methylidene]amino]-N-ethylacetamide;hydroiodide

C11H25IN4O — CID 111032059

IUPAC2-[[amino-(hexylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
SMILESCCCCCCN/C(N)=N/CC(=O)NCC.I
InChIInChI=1S/C11H24N4O.HI/c1-3-5-6-7-8-14-11(12)15-9-10(16)13-4-2;/h3-9H2,1-2H3,(H,13,16)(H3,12,14,15);1H
InChIKeyUNAAOWKJDKTKJX-UHFFFAOYSA-N
MW356.25 g/mol
LogP1.23
Rot. Bonds8

About 2-[[amino-(hexylamino)methylidene]amino]-N-ethylacetamide;hydroiodide

2-[[amino-(hexylamino)methylidene]amino]-N-ethylacetamide;hydroiodide (PubChem CID 111032059) has the molecular formula C11H25IN4O and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-[[amino-(hexylamino)methylidene]amino]-N-ethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(hexylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
PubChem CID111032059
Molecular FormulaC11H25IN4O
Molecular Weight356.25 g/mol
Exact Mass356.11
IUPAC Name2-[[amino-(hexylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
SMILESCCCCCCN/C(N)=N/CC(=O)NCC.I
InChIInChI=1S/C11H24N4O.HI/c1-3-5-6-7-8-14-11(12)15-9-10(16)13-4-2;/h3-9H2,1-2H3,(H,13,16)(H3,12,14,15);1H
InChIKeyUNAAOWKJDKTKJX-UHFFFAOYSA-N
XLogP1.23
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 51.23
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090832
2-(diaminomethylideneamino)-N-octylacetamide
CID 126489035
2-(2-methylprop-2-enyl)-1-octylguanidine;hydroiodide
CID 109394322
2-[[butylamino(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111151737
2-(3-hydroxypropyl)-1-octylguanidine;hydroiodide
CID 111023661
tert-butyl N-[3-[[amino-(hexylamino)methylidene]amino]propyl]carbamate;hydroiodide
CID 111044691
2-[[amino-(3-methylbutylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111032129
2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111036987
1-ethyl-2-nonylguanidine
CID 111034740
(3Z)-3-amino-3-hydroxyimino-N-pentylpropanamide
CID 43156042
2-[[ethylamino-(pentylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111130397
1-hexyl-2-(6-methylsulfanylhexyl)guanidine;hydroiodide
CID 110032081

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(hexylamino)methylidene]amino]-N-ethylacetamide;hydroiodide?
The IUPAC name of 2-[[amino-(hexylamino)methylidene]amino]-N-ethylacetamide;hydroiodide (CID 111032059) is 2-[[amino-(hexylamino)methylidene]amino]-N-ethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(hexylamino)methylidene]amino]-N-ethylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(hexylamino)methylidene]amino]-N-ethylacetamide;hydroiodide is CCCCCCN/C(N)=N/CC(=O)NCC.I.
What is the InChIKey of 2-[[amino-(hexylamino)methylidene]amino]-N-ethylacetamide;hydroiodide?
The InChIKey is UNAAOWKJDKTKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O.HI/c1-3-5-6-7-8-14-11(12)15-9-10(16)13-4-2;/h3-9H2,1-2H3,(H,13,16)(H3,12,14,15);1H.
What are the key properties of 2-[[amino-(hexylamino)methylidene]amino]-N-ethylacetamide;hydroiodide?
2-[[amino-(hexylamino)methylidene]amino]-N-ethylacetamide;hydroiodide has a molecular weight of 356.25 g/mol, XLogP of 1.23, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(hexylamino)methylidene]amino]-N-ethylacetamide;hydroiodide is sourced from PubChem (CID 111032059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).