N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

C16H35IN4 — CID 110935040

IUPACN'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCN(CCC)CCC/N=C(\N)N1CCC(C)CC1.I
InChIInChI=1S/C16H34N4.HI/c1-4-10-19(11-5-2)12-6-9-18-16(17)20-13-7-15(3)8-14-20;/h15H,4-14H2,1-3H3,(H2,17,18);1H
InChIKeyAKYIQNKJIMIRIL-UHFFFAOYSA-N
MW410.39 g/mol
LogP3.16
Rot. Bonds8

About N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 110935040) has the molecular formula C16H35IN4 and a molecular weight of 410.39 g/mol. Its IUPAC name is N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID110935040
Molecular FormulaC16H35IN4
Molecular Weight410.39 g/mol
Exact Mass410.19
IUPAC NameN'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCN(CCC)CCC/N=C(\N)N1CCC(C)CC1.I
InChIInChI=1S/C16H34N4.HI/c1-4-10-19(11-5-2)12-6-9-18-16(17)20-13-7-15(3)8-14-20;/h15H,4-14H2,1-3H3,(H2,17,18);1H
InChIKeyAKYIQNKJIMIRIL-UHFFFAOYSA-N
XLogP3.16
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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': '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'-[3-[ethylsulfonyl(methyl)amino]propyl]-4-methylpiperidine-1-carboximidamide
CID 110920035
N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920495
N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 110919499
N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
CID 111435851
N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide
CID 110920377
4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide
CID 110919808
N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111025415
N'-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919582
4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide
CID 111435807
4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110926968
N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide
CID 110920452
4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (CID 110935040) is N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is CCCN(CCC)CCC/N=C(\N)N1CCC(C)CC1.I.
What is the InChIKey of N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is AKYIQNKJIMIRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4.HI/c1-4-10-19(11-5-2)12-6-9-18-16(17)20-13-7-15(3)8-14-20;/h15H,4-14H2,1-3H3,(H2,17,18);1H.
What are the key properties of N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 410.39 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110935040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).