2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide

C9H21IN4O2 — CID 111036987

IUPAC2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
SMILESCCCN/C(N)=N/CC(=O)NCCOC.I
InChIInChI=1S/C9H20N4O2.HI/c1-3-4-12-9(10)13-7-8(14)11-5-6-15-2;/h3-7H2,1-2H3,(H,11,14)(H3,10,12,13);1H
InChIKeyCKUNXPNQRVLMNF-UHFFFAOYSA-N
MW344.20 g/mol
LogP-0.32
Rot. Bonds7

About 2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide

2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide (PubChem CID 111036987) has the molecular formula C9H21IN4O2 and a molecular weight of 344.20 g/mol. Its IUPAC name is 2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
PubChem CID111036987
Molecular FormulaC9H21IN4O2
Molecular Weight344.20 g/mol
Exact Mass344.07
IUPAC Name2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
SMILESCCCN/C(N)=N/CC(=O)NCCOC.I
InChIInChI=1S/C9H20N4O2.HI/c1-3-4-12-9(10)13-7-8(14)11-5-6-15-2;/h3-7H2,1-2H3,(H,11,14)(H3,10,12,13);1H
InChIKeyCKUNXPNQRVLMNF-UHFFFAOYSA-N
XLogP-0.32
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111037013
2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037014
2-[[amino-(3-methylbutylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111032129
2-[[amino(diethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111037001
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037070
2-[[amino(propylamino)methylidene]amino]acetic acid
CID 87703719
2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037016
3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111077930
2-[bis(dimethylamino)methylideneamino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111037025
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037028
2-[[ethylamino-(pentylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111130397
2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine
CID 110918294

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The IUPAC name of 2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide (CID 111036987) is 2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide is CCCN/C(N)=N/CC(=O)NCCOC.I.
What is the InChIKey of 2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The InChIKey is CKUNXPNQRVLMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2.HI/c1-3-4-12-9(10)13-7-8(14)11-5-6-15-2;/h3-7H2,1-2H3,(H,11,14)(H3,10,12,13);1H.
What are the key properties of 2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide has a molecular weight of 344.20 g/mol, XLogP of -0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide is sourced from PubChem (CID 111036987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).