N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide

C16H35IN4O — CID 111094977

IUPACN-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
SMILESCC(C)CCCC(C)N/C(N)=N/CCNC(=O)C(C)(C)C.I
InChIInChI=1S/C16H34N4O.HI/c1-12(2)8-7-9-13(3)20-15(17)19-11-10-18-14(21)16(4,5)6;/h12-13H,7-11H2,1-6H3,(H,18,21)(H3,17,19,20);1H
InChIKeyIVBKUCYUVUKKAS-UHFFFAOYSA-N
MW426.39 g/mol
LogP2.89
Rot. Bonds8

About N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide

N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide (PubChem CID 111094977) has the molecular formula C16H35IN4O and a molecular weight of 426.39 g/mol. Its IUPAC name is N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
PubChem CID111094977
Molecular FormulaC16H35IN4O
Molecular Weight426.39 g/mol
Exact Mass426.19
IUPAC NameN-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
SMILESCC(C)CCCC(C)N/C(N)=N/CCNC(=O)C(C)(C)C.I
InChIInChI=1S/C16H34N4O.HI/c1-12(2)8-7-9-13(3)20-15(17)19-11-10-18-14(21)16(4,5)6;/h12-13H,7-11H2,1-6H3,(H,18,21)(H3,17,19,20);1H
InChIKeyIVBKUCYUVUKKAS-UHFFFAOYSA-N
XLogP2.89
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 52.89
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

N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide;hydroiodide
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N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-3-methylbenzamide
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1-(6-methylheptan-2-yl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034761
N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
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2-[3-(4-hydroxyphenyl)propyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111816057
1-(6-methylheptan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
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2-(2,2-diethyl-4-hydroxybutyl)-1-(6-methylheptan-2-yl)guanidine;hydroiodide
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N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide?
The IUPAC name of N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide (CID 111094977) is N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide?
The canonical SMILES for N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide is CC(C)CCCC(C)N/C(N)=N/CCNC(=O)C(C)(C)C.I.
What is the InChIKey of N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide?
The InChIKey is IVBKUCYUVUKKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O.HI/c1-12(2)8-7-9-13(3)20-15(17)19-11-10-18-14(21)16(4,5)6;/h12-13H,7-11H2,1-6H3,(H,18,21)(H3,17,19,20);1H.
What are the key properties of N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide?
N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide has a molecular weight of 426.39 g/mol, XLogP of 2.89, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide is sourced from PubChem (CID 111094977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).