3-(1-cyclohexylpyrrol-2-yl)propan-1-amine

C13H22N2 — CID 170879046

IUPAC3-(1-cyclohexylpyrrol-2-yl)propan-1-amine
SMILESNCCCc1cccn1C1CCCCC1
InChIInChI=1S/C13H22N2/c14-10-4-8-13-9-5-11-15(13)12-6-2-1-3-7-12/h5,9,11-12H,1-4,6-8,10,14H2
InChIKeyTVRVBDVMVUCGRY-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.88
Rot. Bonds4

About 3-(1-cyclohexylpyrrol-2-yl)propan-1-amine

3-(1-cyclohexylpyrrol-2-yl)propan-1-amine (PubChem CID 170879046) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-(1-cyclohexylpyrrol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-cyclohexylpyrrol-2-yl)propan-1-amine
PubChem CID170879046
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-(1-cyclohexylpyrrol-2-yl)propan-1-amine
SMILESNCCCc1cccn1C1CCCCC1
InChIInChI=1S/C13H22N2/c14-10-4-8-13-9-5-11-15(13)12-6-2-1-3-7-12/h5,9,11-12H,1-4,6-8,10,14H2
InChIKeyTVRVBDVMVUCGRY-UHFFFAOYSA-N
XLogP2.88
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylpyrrol-2-yl)propan-1-amine?
The IUPAC name of 3-(1-cyclohexylpyrrol-2-yl)propan-1-amine (CID 170879046) is 3-(1-cyclohexylpyrrol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(1-cyclohexylpyrrol-2-yl)propan-1-amine?
The canonical SMILES for 3-(1-cyclohexylpyrrol-2-yl)propan-1-amine is NCCCc1cccn1C1CCCCC1.
What is the InChIKey of 3-(1-cyclohexylpyrrol-2-yl)propan-1-amine?
The InChIKey is TVRVBDVMVUCGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c14-10-4-8-13-9-5-11-15(13)12-6-2-1-3-7-12/h5,9,11-12H,1-4,6-8,10,14H2.
What are the key properties of 3-(1-cyclohexylpyrrol-2-yl)propan-1-amine?
3-(1-cyclohexylpyrrol-2-yl)propan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylpyrrol-2-yl)propan-1-amine is sourced from PubChem (CID 170879046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).