trans-(3S,4S)-N-ethyl-3,4-dimethoxycyclopentan-1-amine

C9H19NO2 — CID 166901731

IUPACtrans-(3S,4S)-N-ethyl-3,4-dimethoxycyclopentan-1-amine
SMILESCCNC1C[C@H](OC)[C@@H](OC)C1
InChIInChI=1S/C9H19NO2/c1-4-10-7-5-8(11-2)9(6-7)12-3/h7-10H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKeyMYPJXGDMWWRUSB-IUCAKERBSA-N
MW173.26 g/mol
LogP0.79
Rot. Bonds4

About trans-(3S,4S)-N-ethyl-3,4-dimethoxycyclopentan-1-amine

trans-(3S,4S)-N-ethyl-3,4-dimethoxycyclopentan-1-amine (PubChem CID 166901731) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is trans-(3S,4S)-N-ethyl-3,4-dimethoxycyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(3S,4S)-N-ethyl-3,4-dimethoxycyclopentan-1-amine
PubChem CID166901731
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nametrans-(3S,4S)-N-ethyl-3,4-dimethoxycyclopentan-1-amine
SMILESCCNC1C[C@H](OC)[C@@H](OC)C1
InChIInChI=1S/C9H19NO2/c1-4-10-7-5-8(11-2)9(6-7)12-3/h7-10H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKeyMYPJXGDMWWRUSB-IUCAKERBSA-N
XLogP0.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(3S,4S)-N-ethyl-3,4-dimethoxycyclopentan-1-amine?
The IUPAC name of trans-(3S,4S)-N-ethyl-3,4-dimethoxycyclopentan-1-amine (CID 166901731) is trans-(3S,4S)-N-ethyl-3,4-dimethoxycyclopentan-1-amine.
What is the SMILES notation for trans-(3S,4S)-N-ethyl-3,4-dimethoxycyclopentan-1-amine?
The canonical SMILES for trans-(3S,4S)-N-ethyl-3,4-dimethoxycyclopentan-1-amine is CCNC1C[C@H](OC)[C@@H](OC)C1.
What is the InChIKey of trans-(3S,4S)-N-ethyl-3,4-dimethoxycyclopentan-1-amine?
The InChIKey is MYPJXGDMWWRUSB-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-10-7-5-8(11-2)9(6-7)12-3/h7-10H,4-6H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of trans-(3S,4S)-N-ethyl-3,4-dimethoxycyclopentan-1-amine?
trans-(3S,4S)-N-ethyl-3,4-dimethoxycyclopentan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3S,4S)-N-ethyl-3,4-dimethoxycyclopentan-1-amine is sourced from PubChem (CID 166901731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).