N'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide

C15H32IN5O — CID 111060330

IUPACN'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
SMILESCCN1CCN(CCCC/N=C(\N)N2CCOCC2)CC1.I
InChIInChI=1S/C15H31N5O.HI/c1-2-18-7-9-19(10-8-18)6-4-3-5-17-15(16)20-11-13-21-14-12-20;/h2-14H2,1H3,(H2,16,17);1H
InChIKeyINVVAUMWGACJTH-UHFFFAOYSA-N
MW425.36 g/mol
LogP0.67
Rot. Bonds6

About N'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide

N'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111060330) has the molecular formula C15H32IN5O and a molecular weight of 425.36 g/mol. Its IUPAC name is N'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111060330
Molecular FormulaC15H32IN5O
Molecular Weight425.36 g/mol
Exact Mass425.17
IUPAC NameN'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
SMILESCCN1CCN(CCCC/N=C(\N)N2CCOCC2)CC1.I
InChIInChI=1S/C15H31N5O.HI/c1-2-18-7-9-19(10-8-18)6-4-3-5-17-15(16)20-11-13-21-14-12-20;/h2-14H2,1H3,(H2,16,17);1H
InChIKeyINVVAUMWGACJTH-UHFFFAOYSA-N
XLogP0.67
TPSA57.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide
CID 111059740
N'-[4-(diethylamino)butyl]morpholine-4-carboximidamide
CID 111059955
N'-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 111807931
methyl 7-[[amino(morpholin-4-yl)methylidene]amino]heptanoate;hydroiodide
CID 111040526
2-[3-(4-ethylpiperazin-1-yl)propyl]guanidine
CID 95441677
N'-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]morpholine-4-carboximidamide
CID 75511967
N'-(3-morpholin-4-ylpropyl)propanimidamide
CID 63175512
N'-[4-(2-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide
CID 111060059
N'-(2-ethoxyethyl)morpholine-4-carboximidamide;hydroiodide
CID 111045505
N'-[2-(diethylamino)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111022667
propan-2-yl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate;hydroiodide
CID 110062039
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
CID 111053453

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide (CID 111060330) is N'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide is CCN1CCN(CCCC/N=C(\N)N2CCOCC2)CC1.I.
What is the InChIKey of N'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is INVVAUMWGACJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O.HI/c1-2-18-7-9-19(10-8-18)6-4-3-5-17-15(16)20-11-13-21-14-12-20;/h2-14H2,1H3,(H2,16,17);1H.
What are the key properties of N'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide?
N'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 425.36 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111060330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).