N'-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]azepane-1-carboximidamide

C16H33N5 — CID 75495270

IUPACN'-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]azepane-1-carboximidamide
SMILESCN(C)C1CCN(CC/N=C(\N)N2CCCCCC2)CC1
InChIInChI=1S/C16H33N5/c1-19(2)15-7-12-20(13-8-15)14-9-18-16(17)21-10-5-3-4-6-11-21/h15H,3-14H2,1-2H3,(H2,17,18)
InChIKeyFBHHAYBXIIUHBT-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.20
Rot. Bonds4

About N'-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]azepane-1-carboximidamide

N'-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]azepane-1-carboximidamide (PubChem CID 75495270) has the molecular formula C16H33N5 and a molecular weight of 295.47 g/mol. Its IUPAC name is N'-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]azepane-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]azepane-1-carboximidamide
PubChem CID75495270
Molecular FormulaC16H33N5
Molecular Weight295.47 g/mol
Exact Mass295.27
IUPAC NameN'-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]azepane-1-carboximidamide
SMILESCN(C)C1CCN(CC/N=C(\N)N2CCCCCC2)CC1
InChIInChI=1S/C16H33N5/c1-19(2)15-7-12-20(13-8-15)14-9-18-16(17)21-10-5-3-4-6-11-21/h15H,3-14H2,1-2H3,(H2,17,18)
InChIKeyFBHHAYBXIIUHBT-UHFFFAOYSA-N
XLogP1.20
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide
CID 111752643
N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]piperidine-1-carboximidamide
CID 111069694
N'-(3-pyrrolidin-1-ylpropyl)azepane-1-carboximidamide
CID 86779268
N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111034812
N'-[3-(dimethylamino)propyl]piperidine-1-carboximidamide
CID 111023941
N'-propylazocane-1-carboximidamide
CID 62361040
N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide
CID 75494021
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111060130
4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130
N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111806077
4-methyl-N'-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
CID 110920150

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]azepane-1-carboximidamide?
The IUPAC name of N'-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]azepane-1-carboximidamide (CID 75495270) is N'-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]azepane-1-carboximidamide.
What is the SMILES notation for N'-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]azepane-1-carboximidamide?
The canonical SMILES for N'-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]azepane-1-carboximidamide is CN(C)C1CCN(CC/N=C(\N)N2CCCCCC2)CC1.
What is the InChIKey of N'-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]azepane-1-carboximidamide?
The InChIKey is FBHHAYBXIIUHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5/c1-19(2)15-7-12-20(13-8-15)14-9-18-16(17)21-10-5-3-4-6-11-21/h15H,3-14H2,1-2H3,(H2,17,18).
What are the key properties of N'-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]azepane-1-carboximidamide?
N'-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]azepane-1-carboximidamide has a molecular weight of 295.47 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]azepane-1-carboximidamide is sourced from PubChem (CID 75495270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).