1-amino-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carbonitrile

C14H24N2O2 — CID 79572364

IUPAC1-amino-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(N)CCCC1CCOCC1CCCCO1
InChIInChI=1S/C14H24N2O2/c15-11-14(16)7-3-4-12(14)6-9-17-10-13-5-1-2-8-18-13/h12-13H,1-10,16H2
InChIKeyMQOXTVLFHDGMLJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.98
Rot. Bonds5

About 1-amino-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carbonitrile

1-amino-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carbonitrile (PubChem CID 79572364) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-amino-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carbonitrile
PubChem CID79572364
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-amino-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(N)CCCC1CCOCC1CCCCO1
InChIInChI=1S/C14H24N2O2/c15-11-14(16)7-3-4-12(14)6-9-17-10-13-5-1-2-8-18-13/h12-13H,1-10,16H2
InChIKeyMQOXTVLFHDGMLJ-UHFFFAOYSA-N
XLogP1.98
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carbonitrile (CID 79572364) is 1-amino-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carbonitrile is N#CC1(N)CCCC1CCOCC1CCCCO1.
What is the InChIKey of 1-amino-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is MQOXTVLFHDGMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c15-11-14(16)7-3-4-12(14)6-9-17-10-13-5-1-2-8-18-13/h12-13H,1-10,16H2.
What are the key properties of 1-amino-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 252.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79572364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).