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

C14H25N3 — CID 110933731

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NCCC1=CCCCC1)N1CCCC1
InChIInChI=1S/C14H25N3/c1-15-14(17-11-5-6-12-17)16-10-9-13-7-3-2-4-8-13/h7H,2-6,8-12H2,1H3,(H,15,16)
InChIKeyINBUSYNGAFFWAK-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.55
Rot. Bonds3

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

N-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 110933731) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
PubChem CID110933731
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NCCC1=CCCCC1)N1CCCC1
InChIInChI=1S/C14H25N3/c1-15-14(17-11-5-6-12-17)16-10-9-13-7-3-2-4-8-13/h7H,2-6,8-12H2,1H3,(H,15,16)
InChIKeyINBUSYNGAFFWAK-UHFFFAOYSA-N
XLogP2.55
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.55
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]-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide (CID 110933731) is N-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide is C/N=C(/NCCC1=CCCCC1)N1CCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is INBUSYNGAFFWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-15-14(17-11-5-6-12-17)16-10-9-13-7-3-2-4-8-13/h7H,2-6,8-12H2,1H3,(H,15,16).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 235.37 g/mol, XLogP of 2.55, 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]-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 110933731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).