N'-[2-(diethylamino)-4-methylpentyl]piperidine-1-carboximidamide;hydroiodide

C16H35IN4 — CID 111042486

IUPACN'-[2-(diethylamino)-4-methylpentyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN(CC)C(C/N=C(\N)N1CCCCC1)CC(C)C.I
InChIInChI=1S/C16H34N4.HI/c1-5-19(6-2)15(12-14(3)4)13-18-16(17)20-10-8-7-9-11-20;/h14-15H,5-13H2,1-4H3,(H2,17,18);1H
InChIKeyYKERADJFSZPXQU-UHFFFAOYSA-N
MW410.39 g/mol
LogP3.16
Rot. Bonds7

About N'-[2-(diethylamino)-4-methylpentyl]piperidine-1-carboximidamide;hydroiodide

N'-[2-(diethylamino)-4-methylpentyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111042486) has the molecular formula C16H35IN4 and a molecular weight of 410.39 g/mol. Its IUPAC name is N'-[2-(diethylamino)-4-methylpentyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(diethylamino)-4-methylpentyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111042486
Molecular FormulaC16H35IN4
Molecular Weight410.39 g/mol
Exact Mass410.19
IUPAC NameN'-[2-(diethylamino)-4-methylpentyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN(CC)C(C/N=C(\N)N1CCCCC1)CC(C)C.I
InChIInChI=1S/C16H34N4.HI/c1-5-19(6-2)15(12-14(3)4)13-18-16(17)20-10-8-7-9-11-20;/h14-15H,5-13H2,1-4H3,(H2,17,18);1H
InChIKeyYKERADJFSZPXQU-UHFFFAOYSA-N
XLogP3.16
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
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

N'-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111041798
1-(cyclobutylmethyl)-2-[2-(diethylamino)-4-methylpentyl]guanidine;hydroiodide
CID 111042472
N'-propylazocane-1-carboximidamide
CID 62361040
N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111025415
1-butyl-2-[2-(diethylamino)-4-methylpentyl]guanidine
CID 111042443
N'-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111070597
N'-(2-methyl-3-pyrazol-1-ylpropyl)azepane-1-carboximidamide;hydroiodide
CID 86779281
N'-[2-cyclohexyl-2-(dimethylamino)ethyl]piperidine-1-carboximidamide
CID 111056235
3-[[amino(piperidin-1-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
CID 111054620
N'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide
CID 111757989
N'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111055396
N'-[4-[methyl(propan-2-yl)amino]butyl]azepane-1-carboximidamide;hydroiodide
CID 86779285

Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylamino)-4-methylpentyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(diethylamino)-4-methylpentyl]piperidine-1-carboximidamide;hydroiodide (CID 111042486) is N'-[2-(diethylamino)-4-methylpentyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(diethylamino)-4-methylpentyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(diethylamino)-4-methylpentyl]piperidine-1-carboximidamide;hydroiodide is CCN(CC)C(C/N=C(\N)N1CCCCC1)CC(C)C.I.
What is the InChIKey of N'-[2-(diethylamino)-4-methylpentyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is YKERADJFSZPXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4.HI/c1-5-19(6-2)15(12-14(3)4)13-18-16(17)20-10-8-7-9-11-20;/h14-15H,5-13H2,1-4H3,(H2,17,18);1H.
What are the key properties of N'-[2-(diethylamino)-4-methylpentyl]piperidine-1-carboximidamide;hydroiodide?
N'-[2-(diethylamino)-4-methylpentyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 410.39 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylamino)-4-methylpentyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111042486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).