N'-(cyclohexen-1-ylmethyl)-3-methylpiperidine-1-carboximidamide

C14H25N3 — CID 122096896

IUPACN'-(cyclohexen-1-ylmethyl)-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC2=CCCCC2)C1
InChIInChI=1S/C14H25N3/c1-12-6-5-9-17(11-12)14(15)16-10-13-7-3-2-4-8-13/h7,12H,2-6,8-11H2,1H3,(H2,15,16)
InChIKeyBQGMJGYGYVEIMX-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.53
Rot. Bonds2

About N'-(cyclohexen-1-ylmethyl)-3-methylpiperidine-1-carboximidamide

N'-(cyclohexen-1-ylmethyl)-3-methylpiperidine-1-carboximidamide (PubChem CID 122096896) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N'-(cyclohexen-1-ylmethyl)-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(cyclohexen-1-ylmethyl)-3-methylpiperidine-1-carboximidamide
PubChem CID122096896
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN'-(cyclohexen-1-ylmethyl)-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC2=CCCCC2)C1
InChIInChI=1S/C14H25N3/c1-12-6-5-9-17(11-12)14(15)16-10-13-7-3-2-4-8-13/h7,12H,2-6,8-11H2,1H3,(H2,15,16)
InChIKeyBQGMJGYGYVEIMX-UHFFFAOYSA-N
XLogP2.53
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-1-carboximidamide
CID 97784530
(3S)-3-methyl-N'-(3-methylbut-2-enyl)piperidine-1-carboximidamide
CID 99832797
5-(2-methylpropyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 89354741
3-[[(3R)-3-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-1-yl]methyl]-5-methyl-4H-pyrimidin-6-amine
CID 163418877
2-(Cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine
CID 75493991
N'-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 75493992
N'-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboximidamide
CID 75493993
(3R)-3-methyl-N'-(3-methylbut-2-enyl)piperidine-1-carboximidamide
CID 99832796
N'-[2-(cyclohexen-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919607
N'-[2-(cyclohexen-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919608
2-[2-(Cyclohexen-1-yl)ethyl]-1,1-diethylguanidine
CID 111025068
N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111025089

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexen-1-ylmethyl)-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-(cyclohexen-1-ylmethyl)-3-methylpiperidine-1-carboximidamide (CID 122096896) is N'-(cyclohexen-1-ylmethyl)-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-(cyclohexen-1-ylmethyl)-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-(cyclohexen-1-ylmethyl)-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CC2=CCCCC2)C1.
What is the InChIKey of N'-(cyclohexen-1-ylmethyl)-3-methylpiperidine-1-carboximidamide?
The InChIKey is BQGMJGYGYVEIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12-6-5-9-17(11-12)14(15)16-10-13-7-3-2-4-8-13/h7,12H,2-6,8-11H2,1H3,(H2,15,16).
What are the key properties of N'-(cyclohexen-1-ylmethyl)-3-methylpiperidine-1-carboximidamide?
N'-(cyclohexen-1-ylmethyl)-3-methylpiperidine-1-carboximidamide has a molecular weight of 235.37 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexen-1-ylmethyl)-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 122096896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).