N'-[2-(6-methyl-3-pyridinyl)ethyl]azepane-1-carboximidamide

C15H24N4 — CID 75513059

IUPACN'-[2-(6-methyl-3-pyridinyl)ethyl]azepane-1-carboximidamide
SMILESCc1ccc(CC/N=C(\N)N2CCCCCC2)cn1
InChIInChI=1S/C15H24N4/c1-13-6-7-14(12-18-13)8-9-17-15(16)19-10-4-2-3-5-11-19/h6-7,12H,2-5,8-11H2,1H3,(H2,16,17)
InChIKeyQQDXSVOWWATLSY-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.12
Rot. Bonds3

About N'-[2-(6-methyl-3-pyridinyl)ethyl]azepane-1-carboximidamide

N'-[2-(6-methyl-3-pyridinyl)ethyl]azepane-1-carboximidamide (PubChem CID 75513059) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N'-[2-(6-methyl-3-pyridinyl)ethyl]azepane-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(6-methyl-3-pyridinyl)ethyl]azepane-1-carboximidamide
PubChem CID75513059
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN'-[2-(6-methyl-3-pyridinyl)ethyl]azepane-1-carboximidamide
SMILESCc1ccc(CC/N=C(\N)N2CCCCCC2)cn1
InChIInChI=1S/C15H24N4/c1-13-6-7-14(12-18-13)8-9-17-15(16)19-10-4-2-3-5-11-19/h6-7,12H,2-5,8-11H2,1H3,(H2,16,17)
InChIKeyQQDXSVOWWATLSY-UHFFFAOYSA-N
XLogP2.12
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.12
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'}

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Related Compounds

3-methyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboximidamide
CID 111802470
N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111024810
N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide
CID 111077789
N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide
CID 111026080
N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111026079
N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111041986
N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide
CID 111067892
N'-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111076048
N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011
N'-[2-(4-methylphenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111814110
N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111048899
N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide;hydroiodide
CID 111067891

Frequently Asked Questions

What is the IUPAC name of N'-[2-(6-methyl-3-pyridinyl)ethyl]azepane-1-carboximidamide?
The IUPAC name of N'-[2-(6-methyl-3-pyridinyl)ethyl]azepane-1-carboximidamide (CID 75513059) is N'-[2-(6-methyl-3-pyridinyl)ethyl]azepane-1-carboximidamide.
What is the SMILES notation for N'-[2-(6-methyl-3-pyridinyl)ethyl]azepane-1-carboximidamide?
The canonical SMILES for N'-[2-(6-methyl-3-pyridinyl)ethyl]azepane-1-carboximidamide is Cc1ccc(CC/N=C(\N)N2CCCCCC2)cn1.
What is the InChIKey of N'-[2-(6-methyl-3-pyridinyl)ethyl]azepane-1-carboximidamide?
The InChIKey is QQDXSVOWWATLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-13-6-7-14(12-18-13)8-9-17-15(16)19-10-4-2-3-5-11-19/h6-7,12H,2-5,8-11H2,1H3,(H2,16,17).
What are the key properties of N'-[2-(6-methyl-3-pyridinyl)ethyl]azepane-1-carboximidamide?
N'-[2-(6-methyl-3-pyridinyl)ethyl]azepane-1-carboximidamide has a molecular weight of 260.38 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(6-methyl-3-pyridinyl)ethyl]azepane-1-carboximidamide is sourced from PubChem (CID 75513059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).