2-[6-(butan-2-ylamino)-2-pyridinyl]acetonitrile

C11H15N3 — CID 126989450

IUPAC2-[6-(butan-2-ylamino)-2-pyridinyl]acetonitrile
SMILESCCC(C)Nc1cccc(CC#N)n1
InChIInChI=1S/C11H15N3/c1-3-9(2)13-11-6-4-5-10(14-11)7-8-12/h4-6,9H,3,7H2,1-2H3,(H,13,14)
InChIKeyQYCWLTYVRRQEHM-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.36
Rot. Bonds4

About 2-[6-(butan-2-ylamino)-2-pyridinyl]acetonitrile

2-[6-(butan-2-ylamino)-2-pyridinyl]acetonitrile (PubChem CID 126989450) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-[6-(butan-2-ylamino)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(butan-2-ylamino)-2-pyridinyl]acetonitrile
PubChem CID126989450
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-[6-(butan-2-ylamino)-2-pyridinyl]acetonitrile
SMILESCCC(C)Nc1cccc(CC#N)n1
InChIInChI=1S/C11H15N3/c1-3-9(2)13-11-6-4-5-10(14-11)7-8-12/h4-6,9H,3,7H2,1-2H3,(H,13,14)
InChIKeyQYCWLTYVRRQEHM-UHFFFAOYSA-N
XLogP2.36
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(butan-2-ylamino)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(butan-2-ylamino)-2-pyridinyl]acetonitrile (CID 126989450) is 2-[6-(butan-2-ylamino)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(butan-2-ylamino)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(butan-2-ylamino)-2-pyridinyl]acetonitrile is CCC(C)Nc1cccc(CC#N)n1.
What is the InChIKey of 2-[6-(butan-2-ylamino)-2-pyridinyl]acetonitrile?
The InChIKey is QYCWLTYVRRQEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-3-9(2)13-11-6-4-5-10(14-11)7-8-12/h4-6,9H,3,7H2,1-2H3,(H,13,14).
What are the key properties of 2-[6-(butan-2-ylamino)-2-pyridinyl]acetonitrile?
2-[6-(butan-2-ylamino)-2-pyridinyl]acetonitrile has a molecular weight of 189.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(butan-2-ylamino)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 126989450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).