ethane;N-methyl-4-propylpiperidine-3-carboximidoyl cyanide

C15H31N3 — CID 143250244

IUPACethane;N-methyl-4-propylpiperidine-3-carboximidoyl cyanide
SMILESCC.CC.CCCC1CCNCC1/C(C#N)=N/C
InChIInChI=1S/C11H19N3.2C2H6/c1-3-4-9-5-6-14-8-10(9)11(7-12)13-2;2*1-2/h9-10,14H,3-6,8H2,1-2H3;2*1-2H3/b13-11+;;
InChIKeyQFTCGIVMRYEWGC-UAIOKUCGSA-N
MW253.43 g/mol
LogP3.66
Rot. Bonds3

About ethane;N-methyl-4-propylpiperidine-3-carboximidoyl cyanide

ethane;N-methyl-4-propylpiperidine-3-carboximidoyl cyanide (PubChem CID 143250244) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is ethane;N-methyl-4-propylpiperidine-3-carboximidoyl cyanide.

Molecular Properties

Compound Nameethane;N-methyl-4-propylpiperidine-3-carboximidoyl cyanide
PubChem CID143250244
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Nameethane;N-methyl-4-propylpiperidine-3-carboximidoyl cyanide
SMILESCC.CC.CCCC1CCNCC1/C(C#N)=N/C
InChIInChI=1S/C11H19N3.2C2H6/c1-3-4-9-5-6-14-8-10(9)11(7-12)13-2;2*1-2/h9-10,14H,3-6,8H2,1-2H3;2*1-2H3/b13-11+;;
InChIKeyQFTCGIVMRYEWGC-UAIOKUCGSA-N
XLogP3.66
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (4R)-4-propylpiperidine-3-carboxylate
CID 121479190
2-(3-propylpiperidin-4-yl)acetic acid
CID 84660229
4-fluoro-5-propylazepane
CID 84650925
3-(4-propylpiperidin-3-yl)oxiran-2-amine
CID 123367852
ethane;4-propylpiperidine
CID 142071399
3-ethylpiperidine-4-carbonitrile
CID 121200011
(3S,4S)-4-ethylpiperidin-3-ol
CID 96732602
tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate
CID 130763732
ethane;3-methyl-4-propylpyrrolidine
CID 166487820
(3R,4S)-4-but-3-enylpiperidine-3-carboxylic acid
CID 127032319
[(3R,4S)-4-propylpiperidin-3-yl] benzoate
CID 10681954
4-(3-boronopropyl)piperidine-3-carboxylic acid
CID 155793426

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-4-propylpiperidine-3-carboximidoyl cyanide?
The IUPAC name of ethane;N-methyl-4-propylpiperidine-3-carboximidoyl cyanide (CID 143250244) is ethane;N-methyl-4-propylpiperidine-3-carboximidoyl cyanide.
What is the SMILES notation for ethane;N-methyl-4-propylpiperidine-3-carboximidoyl cyanide?
The canonical SMILES for ethane;N-methyl-4-propylpiperidine-3-carboximidoyl cyanide is CC.CC.CCCC1CCNCC1/C(C#N)=N/C.
What is the InChIKey of ethane;N-methyl-4-propylpiperidine-3-carboximidoyl cyanide?
The InChIKey is QFTCGIVMRYEWGC-UAIOKUCGSA-N. The full InChI is InChI=1S/C11H19N3.2C2H6/c1-3-4-9-5-6-14-8-10(9)11(7-12)13-2;2*1-2/h9-10,14H,3-6,8H2,1-2H3;2*1-2H3/b13-11+;;.
What are the key properties of ethane;N-methyl-4-propylpiperidine-3-carboximidoyl cyanide?
ethane;N-methyl-4-propylpiperidine-3-carboximidoyl cyanide has a molecular weight of 253.43 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-4-propylpiperidine-3-carboximidoyl cyanide is sourced from PubChem (CID 143250244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).