cyclohexyl(3H-pyrrol-2-yl)methanamine

C11H18N2 — CID 156575937

IUPACcyclohexyl(3H-pyrrol-2-yl)methanamine
SMILESNC(C1=NC=CC1)C1CCCCC1
InChIInChI=1S/C11H18N2/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h4,8-9,11H,1-3,5-7,12H2
InChIKeyJXHIYHZQRIUTOJ-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.25
Rot. Bonds2

About cyclohexyl(3H-pyrrol-2-yl)methanamine

cyclohexyl(3H-pyrrol-2-yl)methanamine (PubChem CID 156575937) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is cyclohexyl(3H-pyrrol-2-yl)methanamine.

Molecular Properties

Compound Namecyclohexyl(3H-pyrrol-2-yl)methanamine
PubChem CID156575937
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Namecyclohexyl(3H-pyrrol-2-yl)methanamine
SMILESNC(C1=NC=CC1)C1CCCCC1
InChIInChI=1S/C11H18N2/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h4,8-9,11H,1-3,5-7,12H2
InChIKeyJXHIYHZQRIUTOJ-UHFFFAOYSA-N
XLogP2.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(3H-pyrrol-2-yl)methanamine?
The IUPAC name of cyclohexyl(3H-pyrrol-2-yl)methanamine (CID 156575937) is cyclohexyl(3H-pyrrol-2-yl)methanamine.
What is the SMILES notation for cyclohexyl(3H-pyrrol-2-yl)methanamine?
The canonical SMILES for cyclohexyl(3H-pyrrol-2-yl)methanamine is NC(C1=NC=CC1)C1CCCCC1.
What is the InChIKey of cyclohexyl(3H-pyrrol-2-yl)methanamine?
The InChIKey is JXHIYHZQRIUTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h4,8-9,11H,1-3,5-7,12H2.
What are the key properties of cyclohexyl(3H-pyrrol-2-yl)methanamine?
cyclohexyl(3H-pyrrol-2-yl)methanamine has a molecular weight of 178.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(3H-pyrrol-2-yl)methanamine is sourced from PubChem (CID 156575937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).