N-[1-(3,4-dimethyl-2H-pyrrol-5-yl)ethenyl]-2-methylcyclohexan-1-amine

C15H24N2 — CID 138509837

IUPACN-[1-(3,4-dimethyl-2H-pyrrol-5-yl)ethenyl]-2-methylcyclohexan-1-amine
SMILESC=C(NC1CCCCC1C)C1=NCC(C)=C1C
InChIInChI=1S/C15H24N2/c1-10-7-5-6-8-14(10)17-13(4)15-12(3)11(2)9-16-15/h10,14,17H,4-9H2,1-3H3
InChIKeyUXARXUDKCPKYIU-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.46
Rot. Bonds3

About N-[1-(3,4-dimethyl-2H-pyrrol-5-yl)ethenyl]-2-methylcyclohexan-1-amine

N-[1-(3,4-dimethyl-2H-pyrrol-5-yl)ethenyl]-2-methylcyclohexan-1-amine (PubChem CID 138509837) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[1-(3,4-dimethyl-2H-pyrrol-5-yl)ethenyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethyl-2H-pyrrol-5-yl)ethenyl]-2-methylcyclohexan-1-amine
PubChem CID138509837
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[1-(3,4-dimethyl-2H-pyrrol-5-yl)ethenyl]-2-methylcyclohexan-1-amine
SMILESC=C(NC1CCCCC1C)C1=NCC(C)=C1C
InChIInChI=1S/C15H24N2/c1-10-7-5-6-8-14(10)17-13(4)15-12(3)11(2)9-16-15/h10,14,17H,4-9H2,1-3H3
InChIKeyUXARXUDKCPKYIU-UHFFFAOYSA-N
XLogP3.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethyl-2H-pyrrol-5-yl)ethenyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[1-(3,4-dimethyl-2H-pyrrol-5-yl)ethenyl]-2-methylcyclohexan-1-amine (CID 138509837) is N-[1-(3,4-dimethyl-2H-pyrrol-5-yl)ethenyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(3,4-dimethyl-2H-pyrrol-5-yl)ethenyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[1-(3,4-dimethyl-2H-pyrrol-5-yl)ethenyl]-2-methylcyclohexan-1-amine is C=C(NC1CCCCC1C)C1=NCC(C)=C1C.
What is the InChIKey of N-[1-(3,4-dimethyl-2H-pyrrol-5-yl)ethenyl]-2-methylcyclohexan-1-amine?
The InChIKey is UXARXUDKCPKYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-10-7-5-6-8-14(10)17-13(4)15-12(3)11(2)9-16-15/h10,14,17H,4-9H2,1-3H3.
What are the key properties of N-[1-(3,4-dimethyl-2H-pyrrol-5-yl)ethenyl]-2-methylcyclohexan-1-amine?
N-[1-(3,4-dimethyl-2H-pyrrol-5-yl)ethenyl]-2-methylcyclohexan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethyl-2H-pyrrol-5-yl)ethenyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 138509837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).