3-(2,6-dimethyl-5-propan-2-yl-3-pyridinyl)-N,2,2-trimethylpropan-1-amine

C16H28N2 — CID 134505020

IUPAC3-(2,6-dimethyl-5-propan-2-yl-3-pyridinyl)-N,2,2-trimethylpropan-1-amine
SMILESCNCC(C)(C)Cc1cc(C(C)C)c(C)nc1C
InChIInChI=1S/C16H28N2/c1-11(2)15-8-14(12(3)18-13(15)4)9-16(5,6)10-17-7/h8,11,17H,9-10H2,1-7H3
InChIKeyAKBRECLKAPMDGQ-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.61
Rot. Bonds5

About 3-(2,6-dimethyl-5-propan-2-yl-3-pyridinyl)-N,2,2-trimethylpropan-1-amine

3-(2,6-dimethyl-5-propan-2-yl-3-pyridinyl)-N,2,2-trimethylpropan-1-amine (PubChem CID 134505020) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 3-(2,6-dimethyl-5-propan-2-yl-3-pyridinyl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethyl-5-propan-2-yl-3-pyridinyl)-N,2,2-trimethylpropan-1-amine
PubChem CID134505020
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name3-(2,6-dimethyl-5-propan-2-yl-3-pyridinyl)-N,2,2-trimethylpropan-1-amine
SMILESCNCC(C)(C)Cc1cc(C(C)C)c(C)nc1C
InChIInChI=1S/C16H28N2/c1-11(2)15-8-14(12(3)18-13(15)4)9-16(5,6)10-17-7/h8,11,17H,9-10H2,1-7H3
InChIKeyAKBRECLKAPMDGQ-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethyl-5-propan-2-yl-3-pyridinyl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 3-(2,6-dimethyl-5-propan-2-yl-3-pyridinyl)-N,2,2-trimethylpropan-1-amine (CID 134505020) is 3-(2,6-dimethyl-5-propan-2-yl-3-pyridinyl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 3-(2,6-dimethyl-5-propan-2-yl-3-pyridinyl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 3-(2,6-dimethyl-5-propan-2-yl-3-pyridinyl)-N,2,2-trimethylpropan-1-amine is CNCC(C)(C)Cc1cc(C(C)C)c(C)nc1C.
What is the InChIKey of 3-(2,6-dimethyl-5-propan-2-yl-3-pyridinyl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is AKBRECLKAPMDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-11(2)15-8-14(12(3)18-13(15)4)9-16(5,6)10-17-7/h8,11,17H,9-10H2,1-7H3.
What are the key properties of 3-(2,6-dimethyl-5-propan-2-yl-3-pyridinyl)-N,2,2-trimethylpropan-1-amine?
3-(2,6-dimethyl-5-propan-2-yl-3-pyridinyl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethyl-5-propan-2-yl-3-pyridinyl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 134505020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).