2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)butanenitrile

C14H24N2O2 — CID 55066158

IUPAC2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)butanenitrile
SMILESCC(C#N)(CCOCC1CCOCC1)NC1CC1
InChIInChI=1S/C14H24N2O2/c1-14(11-15,16-13-2-3-13)6-9-18-10-12-4-7-17-8-5-12/h12-13,16H,2-10H2,1H3
InChIKeyACUAJWYIIUDCFQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.85
Rot. Bonds7

About 2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)butanenitrile

2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)butanenitrile (PubChem CID 55066158) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)butanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)butanenitrile
PubChem CID55066158
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)butanenitrile
SMILESCC(C#N)(CCOCC1CCOCC1)NC1CC1
InChIInChI=1S/C14H24N2O2/c1-14(11-15,16-13-2-3-13)6-9-18-10-12-4-7-17-8-5-12/h12-13,16H,2-10H2,1H3
InChIKeyACUAJWYIIUDCFQ-UHFFFAOYSA-N
XLogP1.85
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.85
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 2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)butanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)butanenitrile (CID 55066158) is 2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)butanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)butanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)butanenitrile is CC(C#N)(CCOCC1CCOCC1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)butanenitrile?
The InChIKey is ACUAJWYIIUDCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(11-15,16-13-2-3-13)6-9-18-10-12-4-7-17-8-5-12/h12-13,16H,2-10H2,1H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)butanenitrile?
2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)butanenitrile has a molecular weight of 252.36 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)butanenitrile is sourced from PubChem (CID 55066158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).