N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide

C15H27N3 — CID 111025090

IUPACN'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCC2=CCCCC2)C1
InChIInChI=1S/C15H27N3/c1-13-6-5-11-18(12-13)15(16)17-10-9-14-7-3-2-4-8-14/h7,13H,2-6,8-12H2,1H3,(H2,16,17)
InChIKeyGADWKDAPBDVJJR-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.92
Rot. Bonds3

About N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide

N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111025090) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111025090
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCC2=CCCCC2)C1
InChIInChI=1S/C15H27N3/c1-13-6-5-11-18(12-13)15(16)17-10-9-14-7-3-2-4-8-14/h7,13H,2-6,8-12H2,1H3,(H2,16,17)
InChIKeyGADWKDAPBDVJJR-UHFFFAOYSA-N
XLogP2.92
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.92
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide (CID 111025090) is N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CCC2=CCCCC2)C1.
What is the InChIKey of N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is GADWKDAPBDVJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-13-6-5-11-18(12-13)15(16)17-10-9-14-7-3-2-4-8-14/h7,13H,2-6,8-12H2,1H3,(H2,16,17).
What are the key properties of N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide?
N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 249.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111025090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).