trans-(1S,3S)-3-methoxycyclopentan-1-amine

C6H13NO — CID 55297868

IUPACtrans-(1S,3S)-3-methoxycyclopentan-1-amine
SMILESCO[C@H]1CC[C@H](N)C1
InChIInChI=1S/C6H13NO/c1-8-6-3-2-5(7)4-6/h5-6H,2-4,7H2,1H3/t5-,6-/m0/s1
InChIKeyBVILPGWUKJERFN-WDSKDSINSA-N
MW115.18 g/mol
LogP0.51
Rot. Bonds1

About trans-(1S,3S)-3-methoxycyclopentan-1-amine

trans-(1S,3S)-3-methoxycyclopentan-1-amine (PubChem CID 55297868) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is trans-(1S,3S)-3-methoxycyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-methoxycyclopentan-1-amine
PubChem CID55297868
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Nametrans-(1S,3S)-3-methoxycyclopentan-1-amine
SMILESCO[C@H]1CC[C@H](N)C1
InChIInChI=1S/C6H13NO/c1-8-6-3-2-5(7)4-6/h5-6H,2-4,7H2,1H3/t5-,6-/m0/s1
InChIKeyBVILPGWUKJERFN-WDSKDSINSA-N
XLogP0.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-methoxycyclopentan-1-amine?
The IUPAC name of trans-(1S,3S)-3-methoxycyclopentan-1-amine (CID 55297868) is trans-(1S,3S)-3-methoxycyclopentan-1-amine.
What is the SMILES notation for trans-(1S,3S)-3-methoxycyclopentan-1-amine?
The canonical SMILES for trans-(1S,3S)-3-methoxycyclopentan-1-amine is CO[C@H]1CC[C@H](N)C1.
What is the InChIKey of trans-(1S,3S)-3-methoxycyclopentan-1-amine?
The InChIKey is BVILPGWUKJERFN-WDSKDSINSA-N. The full InChI is InChI=1S/C6H13NO/c1-8-6-3-2-5(7)4-6/h5-6H,2-4,7H2,1H3/t5-,6-/m0/s1.
What are the key properties of trans-(1S,3S)-3-methoxycyclopentan-1-amine?
trans-(1S,3S)-3-methoxycyclopentan-1-amine has a molecular weight of 115.18 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-methoxycyclopentan-1-amine is sourced from PubChem (CID 55297868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).