4-(aminomethyl)-6-tert-butyl-N-methyl-N-prop-2-ynylpyridin-2-amine

C14H21N3 — CID 113381428

IUPAC4-(aminomethyl)-6-tert-butyl-N-methyl-N-prop-2-ynylpyridin-2-amine
SMILESC#CCN(C)c1cc(CN)cc(C(C)(C)C)n1
InChIInChI=1S/C14H21N3/c1-6-7-17(5)13-9-11(10-15)8-12(16-13)14(2,3)4/h1,8-9H,7,10,15H2,2-5H3
InChIKeyBPKFTRFQYAATOL-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.91
Rot. Bonds3

About 4-(aminomethyl)-6-tert-butyl-N-methyl-N-prop-2-ynylpyridin-2-amine

4-(aminomethyl)-6-tert-butyl-N-methyl-N-prop-2-ynylpyridin-2-amine (PubChem CID 113381428) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(aminomethyl)-6-tert-butyl-N-methyl-N-prop-2-ynylpyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-6-tert-butyl-N-methyl-N-prop-2-ynylpyridin-2-amine
PubChem CID113381428
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4-(aminomethyl)-6-tert-butyl-N-methyl-N-prop-2-ynylpyridin-2-amine
SMILESC#CCN(C)c1cc(CN)cc(C(C)(C)C)n1
InChIInChI=1S/C14H21N3/c1-6-7-17(5)13-9-11(10-15)8-12(16-13)14(2,3)4/h1,8-9H,7,10,15H2,2-5H3
InChIKeyBPKFTRFQYAATOL-UHFFFAOYSA-N
XLogP1.91
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-tert-butyl-N-methyl-N-prop-2-ynylpyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-6-tert-butyl-N-methyl-N-prop-2-ynylpyridin-2-amine (CID 113381428) is 4-(aminomethyl)-6-tert-butyl-N-methyl-N-prop-2-ynylpyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-6-tert-butyl-N-methyl-N-prop-2-ynylpyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-6-tert-butyl-N-methyl-N-prop-2-ynylpyridin-2-amine is C#CCN(C)c1cc(CN)cc(C(C)(C)C)n1.
What is the InChIKey of 4-(aminomethyl)-6-tert-butyl-N-methyl-N-prop-2-ynylpyridin-2-amine?
The InChIKey is BPKFTRFQYAATOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-6-7-17(5)13-9-11(10-15)8-12(16-13)14(2,3)4/h1,8-9H,7,10,15H2,2-5H3.
What are the key properties of 4-(aminomethyl)-6-tert-butyl-N-methyl-N-prop-2-ynylpyridin-2-amine?
4-(aminomethyl)-6-tert-butyl-N-methyl-N-prop-2-ynylpyridin-2-amine has a molecular weight of 231.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-tert-butyl-N-methyl-N-prop-2-ynylpyridin-2-amine is sourced from PubChem (CID 113381428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).