cis-(1S,2R)-2-[(1S)-1-ethoxyethyl]-N-methylcyclopentan-1-amine

C10H21NO — CID 177009821

IUPACcis-(1S,2R)-2-[(1S)-1-ethoxyethyl]-N-methylcyclopentan-1-amine
SMILESCCO[C@@H](C)[C@@H]1CCC[C@@H]1NC
InChIInChI=1S/C10H21NO/c1-4-12-8(2)9-6-5-7-10(9)11-3/h8-11H,4-7H2,1-3H3/t8-,9-,10-/m0/s1
InChIKeyFHQLQTYPVSYZMJ-GUBZILKMSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds4

About cis-(1S,2R)-2-[(1S)-1-ethoxyethyl]-N-methylcyclopentan-1-amine

cis-(1S,2R)-2-[(1S)-1-ethoxyethyl]-N-methylcyclopentan-1-amine (PubChem CID 177009821) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(1S)-1-ethoxyethyl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(1S)-1-ethoxyethyl]-N-methylcyclopentan-1-amine
PubChem CID177009821
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Namecis-(1S,2R)-2-[(1S)-1-ethoxyethyl]-N-methylcyclopentan-1-amine
SMILESCCO[C@@H](C)[C@@H]1CCC[C@@H]1NC
InChIInChI=1S/C10H21NO/c1-4-12-8(2)9-6-5-7-10(9)11-3/h8-11H,4-7H2,1-3H3/t8-,9-,10-/m0/s1
InChIKeyFHQLQTYPVSYZMJ-GUBZILKMSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(1S)-1-ethoxyethyl]-N-methylcyclopentan-1-amine?
The IUPAC name of cis-(1S,2R)-2-[(1S)-1-ethoxyethyl]-N-methylcyclopentan-1-amine (CID 177009821) is cis-(1S,2R)-2-[(1S)-1-ethoxyethyl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-[(1S)-1-ethoxyethyl]-N-methylcyclopentan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-[(1S)-1-ethoxyethyl]-N-methylcyclopentan-1-amine is CCO[C@@H](C)[C@@H]1CCC[C@@H]1NC.
What is the InChIKey of cis-(1S,2R)-2-[(1S)-1-ethoxyethyl]-N-methylcyclopentan-1-amine?
The InChIKey is FHQLQTYPVSYZMJ-GUBZILKMSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-12-8(2)9-6-5-7-10(9)11-3/h8-11H,4-7H2,1-3H3/t8-,9-,10-/m0/s1.
What are the key properties of cis-(1S,2R)-2-[(1S)-1-ethoxyethyl]-N-methylcyclopentan-1-amine?
cis-(1S,2R)-2-[(1S)-1-ethoxyethyl]-N-methylcyclopentan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(1S)-1-ethoxyethyl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 177009821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).