2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-propylacetamide;hydroiodide

C12H27IN4O2 — CID 111237098

IUPAC2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-propylacetamide;hydroiodide
SMILESCCCNC(=O)C/N=C(\NCC)NC(C)COC.I
InChIInChI=1S/C12H26N4O2.HI/c1-5-7-14-11(17)8-15-12(13-6-2)16-10(3)9-18-4;/h10H,5-9H2,1-4H3,(H,14,17)(H2,13,15,16);1H
InChIKeyWEZHPWJBZIXGMY-UHFFFAOYSA-N
MW386.28 g/mol
LogP0.72
Rot. Bonds8

About 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-propylacetamide;hydroiodide

2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-propylacetamide;hydroiodide (PubChem CID 111237098) has the molecular formula C12H27IN4O2 and a molecular weight of 386.28 g/mol. Its IUPAC name is 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-propylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-propylacetamide;hydroiodide
PubChem CID111237098
Molecular FormulaC12H27IN4O2
Molecular Weight386.28 g/mol
Exact Mass386.12
IUPAC Name2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-propylacetamide;hydroiodide
SMILESCCCNC(=O)C/N=C(\NCC)NC(C)COC.I
InChIInChI=1S/C12H26N4O2.HI/c1-5-7-14-11(17)8-15-12(13-6-2)16-10(3)9-18-4;/h10H,5-9H2,1-4H3,(H,14,17)(H2,13,15,16);1H
InChIKeyWEZHPWJBZIXGMY-UHFFFAOYSA-N
XLogP0.72
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[[ethylamino-(octan-2-ylamino)methylidene]amino]-N-propylacetamide
CID 111212817
2-[[[5-(diethylamino)pentan-2-ylamino]-(ethylamino)methylidene]amino]-N-propylacetamide
CID 110999539
2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111236908
1-ethyl-3-(1-methoxypropan-2-yl)-2-pentylguanidine;hydroiodide
CID 111235092
2-[[ethylamino-(2-methylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111180944
2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 110979138
2-(2-butoxyethyl)-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111238012
2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111234473
methyl 5-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]pentanoate
CID 111234359
1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(2-methylpropoxy)ethyl]guanidine
CID 111235595
N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
CID 111237798
2-[[ethylamino-(pentylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111130397

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-propylacetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-propylacetamide;hydroiodide (CID 111237098) is 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-propylacetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-propylacetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-propylacetamide;hydroiodide is CCCNC(=O)C/N=C(\NCC)NC(C)COC.I.
What is the InChIKey of 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-propylacetamide;hydroiodide?
The InChIKey is WEZHPWJBZIXGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2.HI/c1-5-7-14-11(17)8-15-12(13-6-2)16-10(3)9-18-4;/h10H,5-9H2,1-4H3,(H,14,17)(H2,13,15,16);1H.
What are the key properties of 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-propylacetamide;hydroiodide?
2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-propylacetamide;hydroiodide has a molecular weight of 386.28 g/mol, XLogP of 0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-propylacetamide;hydroiodide is sourced from PubChem (CID 111237098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).