1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile

C11H18N2 — CID 64513094

IUPAC1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(NC2CC2)C1
InChIInChI=1S/C11H18N2/c1-2-9-5-6-11(7-9,8-12)13-10-3-4-10/h9-10,13H,2-7H2,1H3
InChIKeyFJBSMDWPZFWZNG-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.21
Rot. Bonds3

About 1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile

1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile (PubChem CID 64513094) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile
PubChem CID64513094
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(NC2CC2)C1
InChIInChI=1S/C11H18N2/c1-2-9-5-6-11(7-9,8-12)13-10-3-4-10/h9-10,13H,2-7H2,1H3
InChIKeyFJBSMDWPZFWZNG-UHFFFAOYSA-N
XLogP2.21
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile (CID 64513094) is 1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile is CCC1CCC(C#N)(NC2CC2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile?
The InChIKey is FJBSMDWPZFWZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-9-5-6-11(7-9,8-12)13-10-3-4-10/h9-10,13H,2-7H2,1H3.
What are the key properties of 1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile?
1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile has a molecular weight of 178.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile is sourced from PubChem (CID 64513094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).