trans-(1S,2S)-2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine

C11H17NO — CID 7035016

IUPACtrans-(1S,2S)-2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine
SMILESCc1ccc(C[C@@H]2CCC[C@@H]2N)o1
InChIInChI=1S/C11H17NO/c1-8-5-6-10(13-8)7-9-3-2-4-11(9)12/h5-6,9,11H,2-4,7,12H2,1H3/t9-,11-/m0/s1
InChIKeyNVJCVVFMGLCWAT-ONGXEEELSA-N
MW179.26 g/mol
LogP2.26
Rot. Bonds2

About trans-(1S,2S)-2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine

trans-(1S,2S)-2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine (PubChem CID 7035016) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine
PubChem CID7035016
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Nametrans-(1S,2S)-2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine
SMILESCc1ccc(C[C@@H]2CCC[C@@H]2N)o1
InChIInChI=1S/C11H17NO/c1-8-5-6-10(13-8)7-9-3-2-4-11(9)12/h5-6,9,11H,2-4,7,12H2,1H3/t9-,11-/m0/s1
InChIKeyNVJCVVFMGLCWAT-ONGXEEELSA-N
XLogP2.26
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.26
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-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine?
The IUPAC name of trans-(1S,2S)-2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine (CID 7035016) is trans-(1S,2S)-2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine is Cc1ccc(C[C@@H]2CCC[C@@H]2N)o1.
What is the InChIKey of trans-(1S,2S)-2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine?
The InChIKey is NVJCVVFMGLCWAT-ONGXEEELSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-5-6-10(13-8)7-9-3-2-4-11(9)12/h5-6,9,11H,2-4,7,12H2,1H3/t9-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine?
trans-(1S,2S)-2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 7035016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).