N-tert-butyl-2-(pyridin-4-ylmethylidene)butan-1-amine

C14H22N2 — CID 79328789

IUPACN-tert-butyl-2-(pyridin-4-ylmethylidene)butan-1-amine
SMILESCCC(=Cc1ccncc1)CNC(C)(C)C
InChIInChI=1S/C14H22N2/c1-5-12(11-16-14(2,3)4)10-13-6-8-15-9-7-13/h6-10,16H,5,11H2,1-4H3
InChIKeyAPSCPCPZMQJAFX-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.26
Rot. Bonds4

About N-tert-butyl-2-(pyridin-4-ylmethylidene)butan-1-amine

N-tert-butyl-2-(pyridin-4-ylmethylidene)butan-1-amine (PubChem CID 79328789) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-tert-butyl-2-(pyridin-4-ylmethylidene)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(pyridin-4-ylmethylidene)butan-1-amine
PubChem CID79328789
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-tert-butyl-2-(pyridin-4-ylmethylidene)butan-1-amine
SMILESCCC(=Cc1ccncc1)CNC(C)(C)C
InChIInChI=1S/C14H22N2/c1-5-12(11-16-14(2,3)4)10-13-6-8-15-9-7-13/h6-10,16H,5,11H2,1-4H3
InChIKeyAPSCPCPZMQJAFX-UHFFFAOYSA-N
XLogP3.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(pyridin-4-ylmethylidene)butan-1-amine?
The IUPAC name of N-tert-butyl-2-(pyridin-4-ylmethylidene)butan-1-amine (CID 79328789) is N-tert-butyl-2-(pyridin-4-ylmethylidene)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(pyridin-4-ylmethylidene)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-(pyridin-4-ylmethylidene)butan-1-amine is CCC(=Cc1ccncc1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(pyridin-4-ylmethylidene)butan-1-amine?
The InChIKey is APSCPCPZMQJAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-12(11-16-14(2,3)4)10-13-6-8-15-9-7-13/h6-10,16H,5,11H2,1-4H3.
What are the key properties of N-tert-butyl-2-(pyridin-4-ylmethylidene)butan-1-amine?
N-tert-butyl-2-(pyridin-4-ylmethylidene)butan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(pyridin-4-ylmethylidene)butan-1-amine is sourced from PubChem (CID 79328789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).