2,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclohexan-1-amine

C14H24N2 — CID 115641589

IUPAC2,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclohexan-1-amine
SMILESCC1CCCC(C)C1NCc1cccn1C
InChIInChI=1S/C14H24N2/c1-11-6-4-7-12(2)14(11)15-10-13-8-5-9-16(13)3/h5,8-9,11-12,14-15H,4,6-7,10H2,1-3H3
InChIKeyWJSPQLFFCLTOBK-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.94
Rot. Bonds3

About 2,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclohexan-1-amine

2,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 115641589) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclohexan-1-amine
PubChem CID115641589
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclohexan-1-amine
SMILESCC1CCCC(C)C1NCc1cccn1C
InChIInChI=1S/C14H24N2/c1-11-6-4-7-12(2)14(11)15-10-13-8-5-9-16(13)3/h5,8-9,11-12,14-15H,4,6-7,10H2,1-3H3
InChIKeyWJSPQLFFCLTOBK-UHFFFAOYSA-N
XLogP2.94
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclohexan-1-amine (CID 115641589) is 2,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclohexan-1-amine is CC1CCCC(C)C1NCc1cccn1C.
What is the InChIKey of 2,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is WJSPQLFFCLTOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-6-4-7-12(2)14(11)15-10-13-8-5-9-16(13)3/h5,8-9,11-12,14-15H,4,6-7,10H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclohexan-1-amine?
2,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 220.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 115641589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).