trans-(1S,2R)-2-octylcyclopentan-1-amine

C13H27N — CID 97292499

IUPACtrans-(1S,2R)-2-octylcyclopentan-1-amine
SMILESCCCCCCCC[C@@H]1CCC[C@@H]1N
InChIInChI=1S/C13H27N/c1-2-3-4-5-6-7-9-12-10-8-11-13(12)14/h12-13H,2-11,14H2,1H3/t12-,13+/m1/s1
InChIKeyGYINFLGIGCPCEO-OLZOCXBDSA-N
MW197.37 g/mol
LogP3.86
Rot. Bonds7

About trans-(1S,2R)-2-octylcyclopentan-1-amine

trans-(1S,2R)-2-octylcyclopentan-1-amine (PubChem CID 97292499) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is trans-(1S,2R)-2-octylcyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-2-octylcyclopentan-1-amine
PubChem CID97292499
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Nametrans-(1S,2R)-2-octylcyclopentan-1-amine
SMILESCCCCCCCC[C@@H]1CCC[C@@H]1N
InChIInChI=1S/C13H27N/c1-2-3-4-5-6-7-9-12-10-8-11-13(12)14/h12-13H,2-11,14H2,1H3/t12-,13+/m1/s1
InChIKeyGYINFLGIGCPCEO-OLZOCXBDSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-heptylcyclohexan-1-amine
CID 23132318
2-dodecylcyclohexan-1-amine
CID 63400047
2-pentylcyclohexan-1-amine
CID 23132313
1-heptyl-2-pentylcyclopentane
CID 102061725
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
trans-(1S,2S)-1-ethyl-2-heptylcyclopentane
CID 175197427
1-pentyl-2-propylcyclopentane
CID 549948
trans-(1R,2S)-2-hexylcyclopentan-1-ol
CID 10797255
cis-(1S,2S)-2-hexylcyclopentan-1-ol
CID 10654739
[(1R,2R)-2-heptylcyclopentyl]hydrazine
CID 124537502
2-dodecyl-4-methylcyclohexan-1-amine
CID 63403347

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-octylcyclopentan-1-amine?
The IUPAC name of trans-(1S,2R)-2-octylcyclopentan-1-amine (CID 97292499) is trans-(1S,2R)-2-octylcyclopentan-1-amine.
What is the SMILES notation for trans-(1S,2R)-2-octylcyclopentan-1-amine?
The canonical SMILES for trans-(1S,2R)-2-octylcyclopentan-1-amine is CCCCCCCC[C@@H]1CCC[C@@H]1N.
What is the InChIKey of trans-(1S,2R)-2-octylcyclopentan-1-amine?
The InChIKey is GYINFLGIGCPCEO-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H27N/c1-2-3-4-5-6-7-9-12-10-8-11-13(12)14/h12-13H,2-11,14H2,1H3/t12-,13+/m1/s1.
What are the key properties of trans-(1S,2R)-2-octylcyclopentan-1-amine?
trans-(1S,2R)-2-octylcyclopentan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-octylcyclopentan-1-amine is sourced from PubChem (CID 97292499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).