3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

C10H18N2O — CID 79639311

IUPAC3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCOC1CCC(C#N)(NC(C)C)C1
InChIInChI=1S/C10H18N2O/c1-8(2)12-10(7-11)5-4-9(6-10)13-3/h8-9,12H,4-6H2,1-3H3
InChIKeyPMYITWMFUBQIKG-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.45
Rot. Bonds3

About 3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (PubChem CID 79639311) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
PubChem CID79639311
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCOC1CCC(C#N)(NC(C)C)C1
InChIInChI=1S/C10H18N2O/c1-8(2)12-10(7-11)5-4-9(6-10)13-3/h8-9,12H,4-6H2,1-3H3
InChIKeyPMYITWMFUBQIKG-UHFFFAOYSA-N
XLogP1.45
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (CID 79639311) is 3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is COC1CCC(C#N)(NC(C)C)C1.
What is the InChIKey of 3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is PMYITWMFUBQIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)12-10(7-11)5-4-9(6-10)13-3/h8-9,12H,4-6H2,1-3H3.
What are the key properties of 3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 182.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).