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

C18H37IN4O — CID 111094891

IUPACN-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide;hydroiodide
SMILESCC(C)CCCC(C)N/C(N)=N/CCNC(=O)CC1CCCC1.I
InChIInChI=1S/C18H36N4O.HI/c1-14(2)7-6-8-15(3)22-18(19)21-12-11-20-17(23)13-16-9-4-5-10-16;/h14-16H,4-13H2,1-3H3,(H,20,23)(H3,19,21,22);1H
InChIKeyFKQASYBCGFOINF-UHFFFAOYSA-N
MW452.43 g/mol
LogP3.42
Rot. Bonds10

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

N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide;hydroiodide (PubChem CID 111094891) has the molecular formula C18H37IN4O and a molecular weight of 452.43 g/mol. Its IUPAC name is N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide;hydroiodide
PubChem CID111094891
Molecular FormulaC18H37IN4O
Molecular Weight452.43 g/mol
Exact Mass452.20
IUPAC NameN-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide;hydroiodide
SMILESCC(C)CCCC(C)N/C(N)=N/CCNC(=O)CC1CCCC1.I
InChIInChI=1S/C18H36N4O.HI/c1-14(2)7-6-8-15(3)22-18(19)21-12-11-20-17(23)13-16-9-4-5-10-16;/h14-16H,4-13H2,1-3H3,(H,20,23)(H3,19,21,22);1H
InChIKeyFKQASYBCGFOINF-UHFFFAOYSA-N
XLogP3.42
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.43
LogP ≤ 53.42
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-(propan-2-ylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095564
2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide
CID 111095546
N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111094977
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095548
N-[3-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]propyl]-2-methylpropanamide
CID 109467765
N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide
CID 111042694
N-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095582
3-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-(1,1-dioxothiolan-3-yl)propanamide;hydroiodide
CID 111062506
2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 114458404
1-(6-methylheptan-2-yl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034761
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111096484
2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine
CID 111062741

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide;hydroiodide?
The IUPAC name of N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide;hydroiodide (CID 111094891) is N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide;hydroiodide?
The canonical SMILES for N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide;hydroiodide is CC(C)CCCC(C)N/C(N)=N/CCNC(=O)CC1CCCC1.I.
What is the InChIKey of N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide;hydroiodide?
The InChIKey is FKQASYBCGFOINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O.HI/c1-14(2)7-6-8-15(3)22-18(19)21-12-11-20-17(23)13-16-9-4-5-10-16;/h14-16H,4-13H2,1-3H3,(H,20,23)(H3,19,21,22);1H.
What are the key properties of N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide;hydroiodide?
N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide;hydroiodide has a molecular weight of 452.43 g/mol, XLogP of 3.42, 10 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-cyclopentylacetamide;hydroiodide is sourced from PubChem (CID 111094891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).