2-(1-methoxypropan-2-ylamino)cyclopentane-1-carbonitrile

C10H18N2O — CID 62741099

IUPAC2-(1-methoxypropan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCOCC(C)NC1CCCC1C#N
InChIInChI=1S/C10H18N2O/c1-8(7-13-2)12-10-5-3-4-9(10)6-11/h8-10,12H,3-5,7H2,1-2H3
InChIKeyYXEQDESQFJRXOZ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.30
Rot. Bonds4

About 2-(1-methoxypropan-2-ylamino)cyclopentane-1-carbonitrile

2-(1-methoxypropan-2-ylamino)cyclopentane-1-carbonitrile (PubChem CID 62741099) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(1-methoxypropan-2-ylamino)cyclopentane-1-carbonitrile
PubChem CID62741099
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(1-methoxypropan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCOCC(C)NC1CCCC1C#N
InChIInChI=1S/C10H18N2O/c1-8(7-13-2)12-10-5-3-4-9(10)6-11/h8-10,12H,3-5,7H2,1-2H3
InChIKeyYXEQDESQFJRXOZ-UHFFFAOYSA-N
XLogP1.30
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(1-methoxypropan-2-ylamino)cyclopentane-1-carbonitrile (CID 62741099) is 2-(1-methoxypropan-2-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(1-methoxypropan-2-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(1-methoxypropan-2-ylamino)cyclopentane-1-carbonitrile is COCC(C)NC1CCCC1C#N.
What is the InChIKey of 2-(1-methoxypropan-2-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is YXEQDESQFJRXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(7-13-2)12-10-5-3-4-9(10)6-11/h8-10,12H,3-5,7H2,1-2H3.
What are the key properties of 2-(1-methoxypropan-2-ylamino)cyclopentane-1-carbonitrile?
2-(1-methoxypropan-2-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 182.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 62741099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).