trans-(1S,2S)-2-cyclopentyloxy-N-[(1S)-1-pyrazin-2-ylethyl]cyclohexan-1-amine

C17H27N3O — CID 97108565

IUPACtrans-(1S,2S)-2-cyclopentyloxy-N-[(1S)-1-pyrazin-2-ylethyl]cyclohexan-1-amine
SMILESC[C@H](N[C@H]1CCCC[C@@H]1OC1CCCC1)c1cnccn1
InChIInChI=1S/C17H27N3O/c1-13(16-12-18-10-11-19-16)20-15-8-4-5-9-17(15)21-14-6-2-3-7-14/h10-15,17,20H,2-9H2,1H3/t13-,15-,17-/m0/s1
InChIKeyLMVASRNFRZVCKW-QRTARXTBSA-N
MW289.42 g/mol
LogP3.40
Rot. Bonds5

About trans-(1S,2S)-2-cyclopentyloxy-N-[(1S)-1-pyrazin-2-ylethyl]cyclohexan-1-amine

trans-(1S,2S)-2-cyclopentyloxy-N-[(1S)-1-pyrazin-2-ylethyl]cyclohexan-1-amine (PubChem CID 97108565) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is trans-(1S,2S)-2-cyclopentyloxy-N-[(1S)-1-pyrazin-2-ylethyl]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-cyclopentyloxy-N-[(1S)-1-pyrazin-2-ylethyl]cyclohexan-1-amine
PubChem CID97108565
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Nametrans-(1S,2S)-2-cyclopentyloxy-N-[(1S)-1-pyrazin-2-ylethyl]cyclohexan-1-amine
SMILESC[C@H](N[C@H]1CCCC[C@@H]1OC1CCCC1)c1cnccn1
InChIInChI=1S/C17H27N3O/c1-13(16-12-18-10-11-19-16)20-15-8-4-5-9-17(15)21-14-6-2-3-7-14/h10-15,17,20H,2-9H2,1H3/t13-,15-,17-/m0/s1
InChIKeyLMVASRNFRZVCKW-QRTARXTBSA-N
XLogP3.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-cyclopentyloxy-N-[(1S)-1-pyrazin-2-ylethyl]cyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-2-cyclopentyloxy-N-[(1S)-1-pyrazin-2-ylethyl]cyclohexan-1-amine (CID 97108565) is trans-(1S,2S)-2-cyclopentyloxy-N-[(1S)-1-pyrazin-2-ylethyl]cyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-cyclopentyloxy-N-[(1S)-1-pyrazin-2-ylethyl]cyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-cyclopentyloxy-N-[(1S)-1-pyrazin-2-ylethyl]cyclohexan-1-amine is C[C@H](N[C@H]1CCCC[C@@H]1OC1CCCC1)c1cnccn1.
What is the InChIKey of trans-(1S,2S)-2-cyclopentyloxy-N-[(1S)-1-pyrazin-2-ylethyl]cyclohexan-1-amine?
The InChIKey is LMVASRNFRZVCKW-QRTARXTBSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(16-12-18-10-11-19-16)20-15-8-4-5-9-17(15)21-14-6-2-3-7-14/h10-15,17,20H,2-9H2,1H3/t13-,15-,17-/m0/s1.
What are the key properties of trans-(1S,2S)-2-cyclopentyloxy-N-[(1S)-1-pyrazin-2-ylethyl]cyclohexan-1-amine?
trans-(1S,2S)-2-cyclopentyloxy-N-[(1S)-1-pyrazin-2-ylethyl]cyclohexan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-cyclopentyloxy-N-[(1S)-1-pyrazin-2-ylethyl]cyclohexan-1-amine is sourced from PubChem (CID 97108565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).