3-[(3-methoxycyclopentyl)amino]butanenitrile

C10H18N2O — CID 103080676

IUPAC3-[(3-methoxycyclopentyl)amino]butanenitrile
SMILESCOC1CCC(NC(C)CC#N)C1
InChIInChI=1S/C10H18N2O/c1-8(5-6-11)12-9-3-4-10(7-9)13-2/h8-10,12H,3-5,7H2,1-2H3
InChIKeyFBTXVSYAZMKSJL-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.45
Rot. Bonds4

About 3-[(3-methoxycyclopentyl)amino]butanenitrile

3-[(3-methoxycyclopentyl)amino]butanenitrile (PubChem CID 103080676) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[(3-methoxycyclopentyl)amino]butanenitrile.

Molecular Properties

Compound Name3-[(3-methoxycyclopentyl)amino]butanenitrile
PubChem CID103080676
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-[(3-methoxycyclopentyl)amino]butanenitrile
SMILESCOC1CCC(NC(C)CC#N)C1
InChIInChI=1S/C10H18N2O/c1-8(5-6-11)12-9-3-4-10(7-9)13-2/h8-10,12H,3-5,7H2,1-2H3
InChIKeyFBTXVSYAZMKSJL-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxycyclopentyl)amino]butanenitrile?
The IUPAC name of 3-[(3-methoxycyclopentyl)amino]butanenitrile (CID 103080676) is 3-[(3-methoxycyclopentyl)amino]butanenitrile.
What is the SMILES notation for 3-[(3-methoxycyclopentyl)amino]butanenitrile?
The canonical SMILES for 3-[(3-methoxycyclopentyl)amino]butanenitrile is COC1CCC(NC(C)CC#N)C1.
What is the InChIKey of 3-[(3-methoxycyclopentyl)amino]butanenitrile?
The InChIKey is FBTXVSYAZMKSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(5-6-11)12-9-3-4-10(7-9)13-2/h8-10,12H,3-5,7H2,1-2H3.
What are the key properties of 3-[(3-methoxycyclopentyl)amino]butanenitrile?
3-[(3-methoxycyclopentyl)amino]butanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxycyclopentyl)amino]butanenitrile is sourced from PubChem (CID 103080676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).