trans-(1S,2S)-2-methoxycyclopentan-1-amine;hydrochloride

C6H14ClNO — CID 47002405

IUPACtrans-(1S,2S)-2-methoxycyclopentan-1-amine;hydrochloride
SMILESCO[C@H]1CCC[C@@H]1N.Cl
InChIInChI=1S/C6H13NO.ClH/c1-8-6-4-2-3-5(6)7;/h5-6H,2-4,7H2,1H3;1H/t5-,6-;/m0./s1
InChIKeyLNNGAOQNALZWJQ-GEMLJDPKSA-N
MW151.64 g/mol
LogP0.93
Rot. Bonds1

About trans-(1S,2S)-2-methoxycyclopentan-1-amine;hydrochloride

trans-(1S,2S)-2-methoxycyclopentan-1-amine;hydrochloride (PubChem CID 47002405) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is trans-(1S,2S)-2-methoxycyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2S)-2-methoxycyclopentan-1-amine;hydrochloride
PubChem CID47002405
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Nametrans-(1S,2S)-2-methoxycyclopentan-1-amine;hydrochloride
SMILESCO[C@H]1CCC[C@@H]1N.Cl
InChIInChI=1S/C6H13NO.ClH/c1-8-6-4-2-3-5(6)7;/h5-6H,2-4,7H2,1H3;1H/t5-,6-;/m0./s1
InChIKeyLNNGAOQNALZWJQ-GEMLJDPKSA-N
XLogP0.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-methoxycyclopentan-1-amine;hydrochloride?
The IUPAC name of trans-(1S,2S)-2-methoxycyclopentan-1-amine;hydrochloride (CID 47002405) is trans-(1S,2S)-2-methoxycyclopentan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1S,2S)-2-methoxycyclopentan-1-amine;hydrochloride?
The canonical SMILES for trans-(1S,2S)-2-methoxycyclopentan-1-amine;hydrochloride is CO[C@H]1CCC[C@@H]1N.Cl.
What is the InChIKey of trans-(1S,2S)-2-methoxycyclopentan-1-amine;hydrochloride?
The InChIKey is LNNGAOQNALZWJQ-GEMLJDPKSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-8-6-4-2-3-5(6)7;/h5-6H,2-4,7H2,1H3;1H/t5-,6-;/m0./s1.
What are the key properties of trans-(1S,2S)-2-methoxycyclopentan-1-amine;hydrochloride?
trans-(1S,2S)-2-methoxycyclopentan-1-amine;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-methoxycyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 47002405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).