3,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine

C13H22N2 — CID 64742849

IUPAC3,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(NCc2ccc[nH]2)CC1C
InChIInChI=1S/C13H22N2/c1-10-5-6-12(8-11(10)2)15-9-13-4-3-7-14-13/h3-4,7,10-12,14-15H,5-6,8-9H2,1-2H3
InChIKeyQJBXNOWCIWMWAZ-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.93
Rot. Bonds3

About 3,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine

3,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine (PubChem CID 64742849) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine
PubChem CID64742849
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(NCc2ccc[nH]2)CC1C
InChIInChI=1S/C13H22N2/c1-10-5-6-12(8-11(10)2)15-9-13-4-3-7-14-13/h3-4,7,10-12,14-15H,5-6,8-9H2,1-2H3
InChIKeyQJBXNOWCIWMWAZ-UHFFFAOYSA-N
XLogP2.93
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine (CID 64742849) is 3,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine is CC1CCC(NCc2ccc[nH]2)CC1C.
What is the InChIKey of 3,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is QJBXNOWCIWMWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10-5-6-12(8-11(10)2)15-9-13-4-3-7-14-13/h3-4,7,10-12,14-15H,5-6,8-9H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine?
3,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 64742849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).