N'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide

C15H32N4 — CID 111060005

IUPACN'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide
SMILESCCN(CC)CCCC/N=C(\N)N1CCCC(C)C1
InChIInChI=1S/C15H32N4/c1-4-18(5-2)11-7-6-10-17-15(16)19-12-8-9-14(3)13-19/h14H,4-13H2,1-3H3,(H2,16,17)
InChIKeyOLSJUOFJXAXHNU-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.15
Rot. Bonds7

About N'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide

N'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111060005) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is N'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111060005
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC NameN'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide
SMILESCCN(CC)CCCC/N=C(\N)N1CCCC(C)C1
InChIInChI=1S/C15H32N4/c1-4-18(5-2)11-7-6-10-17-15(16)19-12-8-9-14(3)13-19/h14H,4-13H2,1-3H3,(H2,16,17)
InChIKeyOLSJUOFJXAXHNU-UHFFFAOYSA-N
XLogP2.15
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.15
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'}

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Related Compounds

N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111022707
N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide
CID 111084919
3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111060279
N'-[4-(diethylamino)butyl]morpholine-4-carboximidamide
CID 111059955
N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111025415
3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111034873
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 91642293
N'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide
CID 111095284
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
ethyl 4-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]butanoate;hydroiodide
CID 111025639
N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935040
N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111036311

Frequently Asked Questions

What is the IUPAC name of N'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide (CID 111060005) is N'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide is CCN(CC)CCCC/N=C(\N)N1CCCC(C)C1.
What is the InChIKey of N'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is OLSJUOFJXAXHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-4-18(5-2)11-7-6-10-17-15(16)19-12-8-9-14(3)13-19/h14H,4-13H2,1-3H3,(H2,16,17).
What are the key properties of N'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide?
N'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 268.45 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111060005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).