trans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine

C11H23NO — CID 96923238

IUPACtrans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine
SMILESCOCCCCN[C@@H]1CCC[C@H]1C
InChIInChI=1S/C11H23NO/c1-10-6-5-7-11(10)12-8-3-4-9-13-2/h10-12H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyQBYWEMPZAZNULG-GHMZBOCLSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds6

About trans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine

trans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine (PubChem CID 96923238) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is trans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine
PubChem CID96923238
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nametrans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine
SMILESCOCCCCN[C@@H]1CCC[C@H]1C
InChIInChI=1S/C11H23NO/c1-10-6-5-7-11(10)12-8-3-4-9-13-2/h10-12H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyQBYWEMPZAZNULG-GHMZBOCLSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine?
The IUPAC name of trans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine (CID 96923238) is trans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine is COCCCCN[C@@H]1CCC[C@H]1C.
What is the InChIKey of trans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine?
The InChIKey is QBYWEMPZAZNULG-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H23NO/c1-10-6-5-7-11(10)12-8-3-4-9-13-2/h10-12H,3-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine?
trans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 96923238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).