4-(butan-2-ylamino)-3-methyloxane-4-carbonitrile

C11H20N2O — CID 130491381

IUPAC4-(butan-2-ylamino)-3-methyloxane-4-carbonitrile
SMILESCCC(C)NC1(C#N)CCOCC1C
InChIInChI=1S/C11H20N2O/c1-4-10(3)13-11(8-12)5-6-14-7-9(11)2/h9-10,13H,4-7H2,1-3H3
InChIKeyMUAJPAFAXOTEPQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.69
Rot. Bonds3

About 4-(butan-2-ylamino)-3-methyloxane-4-carbonitrile

4-(butan-2-ylamino)-3-methyloxane-4-carbonitrile (PubChem CID 130491381) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-(butan-2-ylamino)-3-methyloxane-4-carbonitrile.

Molecular Properties

Compound Name4-(butan-2-ylamino)-3-methyloxane-4-carbonitrile
PubChem CID130491381
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-(butan-2-ylamino)-3-methyloxane-4-carbonitrile
SMILESCCC(C)NC1(C#N)CCOCC1C
InChIInChI=1S/C11H20N2O/c1-4-10(3)13-11(8-12)5-6-14-7-9(11)2/h9-10,13H,4-7H2,1-3H3
InChIKeyMUAJPAFAXOTEPQ-UHFFFAOYSA-N
XLogP1.69
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(butan-2-ylamino)-2-methylcyclobutane-1-carbonitrile
CID 130554667
1-(butan-2-ylamino)-2-methylcyclohexane-1-carbonitrile
CID 61023996
1-(butan-2-ylamino)-2-methoxycyclohexane-1-carbonitrile
CID 106872921
1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile
CID 61023499
1-(4-hydroxy-3-methyloxan-4-yl)cyclobutane-1-carbonitrile
CID 130491628
1-(butan-2-ylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 113305950
3-butan-2-yl-1,5,9-trioxaspiro[5.5]undecane
CID 70895234
1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79566113
N-butan-2-yl-2-[(4-hydroxyoxan-4-yl)methylamino]acetamide
CID 81131141
2-(2-pentan-2-yloxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 102983481
N-(4-cyanooxan-4-yl)-2-ethylbutanamide
CID 82287407
2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79578001

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylamino)-3-methyloxane-4-carbonitrile?
The IUPAC name of 4-(butan-2-ylamino)-3-methyloxane-4-carbonitrile (CID 130491381) is 4-(butan-2-ylamino)-3-methyloxane-4-carbonitrile.
What is the SMILES notation for 4-(butan-2-ylamino)-3-methyloxane-4-carbonitrile?
The canonical SMILES for 4-(butan-2-ylamino)-3-methyloxane-4-carbonitrile is CCC(C)NC1(C#N)CCOCC1C.
What is the InChIKey of 4-(butan-2-ylamino)-3-methyloxane-4-carbonitrile?
The InChIKey is MUAJPAFAXOTEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-10(3)13-11(8-12)5-6-14-7-9(11)2/h9-10,13H,4-7H2,1-3H3.
What are the key properties of 4-(butan-2-ylamino)-3-methyloxane-4-carbonitrile?
4-(butan-2-ylamino)-3-methyloxane-4-carbonitrile has a molecular weight of 196.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylamino)-3-methyloxane-4-carbonitrile is sourced from PubChem (CID 130491381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).