N-cyclopropyl-2-[[ethylamino-(1-phenylethylamino)methylidene]amino]acetamide;hydroiodide

C16H25IN4O — CID 110949777

IUPACN-cyclopropyl-2-[[ethylamino-(1-phenylethylamino)methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC1CC1)NC(C)c1ccccc1.I
InChIInChI=1S/C16H24N4O.HI/c1-3-17-16(18-11-15(21)20-14-9-10-14)19-12(2)13-7-5-4-6-8-13;/h4-8,12,14H,3,9-11H2,1-2H3,(H,20,21)(H2,17,18,19);1H
InChIKeyKKLRMFANCXIHKV-UHFFFAOYSA-N
MW416.31 g/mol
LogP2.20
Rot. Bonds6

About N-cyclopropyl-2-[[ethylamino-(1-phenylethylamino)methylidene]amino]acetamide;hydroiodide

N-cyclopropyl-2-[[ethylamino-(1-phenylethylamino)methylidene]amino]acetamide;hydroiodide (PubChem CID 110949777) has the molecular formula C16H25IN4O and a molecular weight of 416.31 g/mol. Its IUPAC name is N-cyclopropyl-2-[[ethylamino-(1-phenylethylamino)methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[ethylamino-(1-phenylethylamino)methylidene]amino]acetamide;hydroiodide
PubChem CID110949777
Molecular FormulaC16H25IN4O
Molecular Weight416.31 g/mol
Exact Mass416.11
IUPAC NameN-cyclopropyl-2-[[ethylamino-(1-phenylethylamino)methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC1CC1)NC(C)c1ccccc1.I
InChIInChI=1S/C16H24N4O.HI/c1-3-17-16(18-11-15(21)20-14-9-10-14)19-12(2)13-7-5-4-6-8-13;/h4-8,12,14H,3,9-11H2,1-2H3,(H,20,21)(H2,17,18,19);1H
InChIKeyKKLRMFANCXIHKV-UHFFFAOYSA-N
XLogP2.20
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(1-phenylethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 110948233
2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948673
N-cyclohexyl-2-[[ethylamino-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide
CID 111326708
N-cyclohexyl-2-[[ethylamino-[3-(1-phenylethoxy)propylamino]methylidene]amino]acetamide
CID 111403503
1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545994
2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 110992178
N-cyclopropyl-2-[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]acetamide
CID 111852544
N-cyclopropyl-2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111684649
1-cyclopropyl-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide
CID 110989018
2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110989030
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545940
1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950275

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[ethylamino-(1-phenylethylamino)methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N-cyclopropyl-2-[[ethylamino-(1-phenylethylamino)methylidene]amino]acetamide;hydroiodide (CID 110949777) is N-cyclopropyl-2-[[ethylamino-(1-phenylethylamino)methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N-cyclopropyl-2-[[ethylamino-(1-phenylethylamino)methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N-cyclopropyl-2-[[ethylamino-(1-phenylethylamino)methylidene]amino]acetamide;hydroiodide is CCN/C(=N\CC(=O)NC1CC1)NC(C)c1ccccc1.I.
What is the InChIKey of N-cyclopropyl-2-[[ethylamino-(1-phenylethylamino)methylidene]amino]acetamide;hydroiodide?
The InChIKey is KKLRMFANCXIHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O.HI/c1-3-17-16(18-11-15(21)20-14-9-10-14)19-12(2)13-7-5-4-6-8-13;/h4-8,12,14H,3,9-11H2,1-2H3,(H,20,21)(H2,17,18,19);1H.
What are the key properties of N-cyclopropyl-2-[[ethylamino-(1-phenylethylamino)methylidene]amino]acetamide;hydroiodide?
N-cyclopropyl-2-[[ethylamino-(1-phenylethylamino)methylidene]amino]acetamide;hydroiodide has a molecular weight of 416.31 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[ethylamino-(1-phenylethylamino)methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 110949777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).