N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide

C16H34N4 — CID 111084919

IUPACN'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCCCCCCN(C)C)C1
InChIInChI=1S/C16H34N4/c1-15-10-9-13-20(14-15)16(17)18-11-7-5-4-6-8-12-19(2)3/h15H,4-14H2,1-3H3,(H2,17,18)
InChIKeyONAQRDDGNRPGGM-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.55
Rot. Bonds8

About N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide

N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111084919) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111084919
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC NameN'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCCCCCCN(C)C)C1
InChIInChI=1S/C16H34N4/c1-15-10-9-13-20(14-15)16(17)18-11-7-5-4-6-8-12-19(2)3/h15H,4-14H2,1-3H3,(H2,17,18)
InChIKeyONAQRDDGNRPGGM-UHFFFAOYSA-N
XLogP2.55
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.55
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'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide
CID 111060005
3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111060279
N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111022707
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
N'-[3-(dimethylamino)propyl]piperidine-1-carboximidamide
CID 111023941
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 111037466
ethyl 4-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]butanoate;hydroiodide
CID 111025639
tert-butyl N-[4-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]butyl]carbamate
CID 110026921
3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
CID 111036940

Frequently Asked Questions

What is the IUPAC name of N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide (CID 111084919) is N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CCCCCCCN(C)C)C1.
What is the InChIKey of N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is ONAQRDDGNRPGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-15-10-9-13-20(14-15)16(17)18-11-7-5-4-6-8-12-19(2)3/h15H,4-14H2,1-3H3,(H2,17,18).
What are the key properties of N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide?
N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 282.48 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111084919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).