N-cyclohexyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide

C18H37IN4O2 — CID 111970749

IUPACN-cyclohexyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)NCCOCCC(C)C.I
InChIInChI=1S/C18H36N4O2.HI/c1-4-19-18(20-11-13-24-12-10-15(2)3)21-14-17(23)22-16-8-6-5-7-9-16;/h15-16H,4-14H2,1-3H3,(H,22,23)(H2,19,20,21);1H
InChIKeyJFCRZTWMXNTWBG-UHFFFAOYSA-N
MW468.42 g/mol
LogP2.67
Rot. Bonds10

About N-cyclohexyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide

N-cyclohexyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide (PubChem CID 111970749) has the molecular formula C18H37IN4O2 and a molecular weight of 468.42 g/mol. Its IUPAC name is N-cyclohexyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide
PubChem CID111970749
Molecular FormulaC18H37IN4O2
Molecular Weight468.42 g/mol
Exact Mass468.20
IUPAC NameN-cyclohexyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)NCCOCCC(C)C.I
InChIInChI=1S/C18H36N4O2.HI/c1-4-19-18(20-11-13-24-12-10-15(2)3)21-14-17(23)22-16-8-6-5-7-9-16;/h15-16H,4-14H2,1-3H3,(H,22,23)(H2,19,20,21);1H
InChIKeyJFCRZTWMXNTWBG-UHFFFAOYSA-N
XLogP2.67
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.42
LogP ≤ 52.67
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

N-cyclohexyl-2-[[ethylamino-(2-methoxyethylamino)methylidene]amino]acetamide;hydroiodide
CID 110940777
N-cyclopropyl-2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]acetamide
CID 111894403
N-tert-butyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111383495
1-cyclopentyl-3-ethyl-2-[2-(3-methylbutoxy)ethyl]guanidine
CID 110992677
N-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide
CID 111868426
2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 110992178
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 110965625
N-cyclohexyl-2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]acetamide
CID 111605945
N-cyclohexyl-2-[[ethylamino-(3-phenoxypropylamino)methylidene]amino]acetamide;hydroiodide
CID 111418352
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110958738
N-cyclohexyl-2-[[ethylamino-(4-methylsulfanylbutylamino)methylidene]amino]acetamide;hydroiodide
CID 111626949
N-cyclohexyl-2-[[ethylamino-(2-ethylbutylamino)methylidene]amino]acetamide
CID 111890981

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N-cyclohexyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide (CID 111970749) is N-cyclohexyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N-cyclohexyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N-cyclohexyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide is CCN/C(=N\CC(=O)NC1CCCCC1)NCCOCCC(C)C.I.
What is the InChIKey of N-cyclohexyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide?
The InChIKey is JFCRZTWMXNTWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O2.HI/c1-4-19-18(20-11-13-24-12-10-15(2)3)21-14-17(23)22-16-8-6-5-7-9-16;/h15-16H,4-14H2,1-3H3,(H,22,23)(H2,19,20,21);1H.
What are the key properties of N-cyclohexyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide?
N-cyclohexyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide has a molecular weight of 468.42 g/mol, XLogP of 2.67, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 111970749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).