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

C11H23NO — CID 96923239

IUPACcis-(1R,2S)-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+/m0/s1
InChIKeyQBYWEMPZAZNULG-WDEREUQCSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds6

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

cis-(1R,2S)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine (PubChem CID 96923239) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is cis-(1R,2S)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine
PubChem CID96923239
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Namecis-(1R,2S)-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+/m0/s1
InChIKeyQBYWEMPZAZNULG-WDEREUQCSA-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 cis-(1R,2S)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine?
The IUPAC name of cis-(1R,2S)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine (CID 96923239) is cis-(1R,2S)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2S)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine?
The canonical SMILES for cis-(1R,2S)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine is COCCCCN[C@@H]1CCC[C@@H]1C.
What is the InChIKey of cis-(1R,2S)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine?
The InChIKey is QBYWEMPZAZNULG-WDEREUQCSA-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+/m0/s1.
What are the key properties of cis-(1R,2S)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine?
cis-(1R,2S)-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 cis-(1R,2S)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 96923239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).