trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)-N-methylcyclohexan-1-amine

C11H20N2 — CID 54512846

IUPACtrans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)-N-methylcyclohexan-1-amine
SMILESCN[C@H]1CCCC[C@@H]1N1CC=CC1
InChIInChI=1S/C11H20N2/c1-12-10-6-2-3-7-11(10)13-8-4-5-9-13/h4-5,10-12H,2-3,6-9H2,1H3/t10-,11-/m0/s1
InChIKeyYKIURBUQJBTIJV-QWRGUYRKSA-N
MW180.30 g/mol
LogP1.39
Rot. Bonds2

About trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)-N-methylcyclohexan-1-amine

trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)-N-methylcyclohexan-1-amine (PubChem CID 54512846) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)-N-methylcyclohexan-1-amine
PubChem CID54512846
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Nametrans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)-N-methylcyclohexan-1-amine
SMILESCN[C@H]1CCCC[C@@H]1N1CC=CC1
InChIInChI=1S/C11H20N2/c1-12-10-6-2-3-7-11(10)13-8-4-5-9-13/h4-5,10-12H,2-3,6-9H2,1H3/t10-,11-/m0/s1
InChIKeyYKIURBUQJBTIJV-QWRGUYRKSA-N
XLogP1.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)-N-methylcyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)-N-methylcyclohexan-1-amine (CID 54512846) is trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)-N-methylcyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)-N-methylcyclohexan-1-amine is CN[C@H]1CCCC[C@@H]1N1CC=CC1.
What is the InChIKey of trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)-N-methylcyclohexan-1-amine?
The InChIKey is YKIURBUQJBTIJV-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H20N2/c1-12-10-6-2-3-7-11(10)13-8-4-5-9-13/h4-5,10-12H,2-3,6-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)-N-methylcyclohexan-1-amine?
trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)-N-methylcyclohexan-1-amine has a molecular weight of 180.30 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 54512846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).