2-(4-propan-2-yloxybutylamino)butanenitrile

C11H22N2O — CID 106009913

IUPAC2-(4-propan-2-yloxybutylamino)butanenitrile
SMILESCCC(C#N)NCCCCOC(C)C
InChIInChI=1S/C11H22N2O/c1-4-11(9-12)13-7-5-6-8-14-10(2)3/h10-11,13H,4-8H2,1-3H3
InChIKeyDMVDLTPIZVWWJJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.08
Rot. Bonds8

About 2-(4-propan-2-yloxybutylamino)butanenitrile

2-(4-propan-2-yloxybutylamino)butanenitrile (PubChem CID 106009913) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(4-propan-2-yloxybutylamino)butanenitrile.

Molecular Properties

Compound Name2-(4-propan-2-yloxybutylamino)butanenitrile
PubChem CID106009913
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(4-propan-2-yloxybutylamino)butanenitrile
SMILESCCC(C#N)NCCCCOC(C)C
InChIInChI=1S/C11H22N2O/c1-4-11(9-12)13-7-5-6-8-14-10(2)3/h10-11,13H,4-8H2,1-3H3
InChIKeyDMVDLTPIZVWWJJ-UHFFFAOYSA-N
XLogP2.08
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-propan-2-yloxybutylamino)pentanenitrile
CID 106010161
N-(3-propan-2-yloxypropyl)pentan-3-amine
CID 28727128
2-(ethylamino)-4-propan-2-yloxybutanenitrile
CID 63029764
1,6-di(propan-2-yloxy)hexane
CID 10899702
N-(4-propan-2-yloxybutyl)decan-1-amine
CID 106007607
2-(3-propan-2-yloxypropylamino)acetonitrile
CID 94826859
2-[2-(1-cyanopropylamino)ethoxy]acetamide
CID 106237959
1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane
CID 157339053
2-[2-[ethyl(methyl)amino]ethylamino]butanenitrile
CID 62636607
N-[1-(furan-2-yl)propyl]-4-propan-2-yloxybutan-1-amine
CID 106007637
2-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanenitrile
CID 66277224
(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide
CID 114137059

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxybutylamino)butanenitrile?
The IUPAC name of 2-(4-propan-2-yloxybutylamino)butanenitrile (CID 106009913) is 2-(4-propan-2-yloxybutylamino)butanenitrile.
What is the SMILES notation for 2-(4-propan-2-yloxybutylamino)butanenitrile?
The canonical SMILES for 2-(4-propan-2-yloxybutylamino)butanenitrile is CCC(C#N)NCCCCOC(C)C.
What is the InChIKey of 2-(4-propan-2-yloxybutylamino)butanenitrile?
The InChIKey is DMVDLTPIZVWWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-11(9-12)13-7-5-6-8-14-10(2)3/h10-11,13H,4-8H2,1-3H3.
What are the key properties of 2-(4-propan-2-yloxybutylamino)butanenitrile?
2-(4-propan-2-yloxybutylamino)butanenitrile has a molecular weight of 198.31 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxybutylamino)butanenitrile is sourced from PubChem (CID 106009913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).