2-methyl-N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine

C16H28N2O — CID 81255353

IUPAC2-methyl-N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(OCCC(C)C)c(CNC(C)(C)C)cn1
InChIInChI=1S/C16H28N2O/c1-12(2)7-8-19-15-9-13(3)17-10-14(15)11-18-16(4,5)6/h9-10,12,18H,7-8,11H2,1-6H3
InChIKeyFHGVNJIWEHWVCF-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.70
Rot. Bonds6

About 2-methyl-N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine

2-methyl-N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81255353) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-methyl-N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID81255353
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-methyl-N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(OCCC(C)C)c(CNC(C)(C)C)cn1
InChIInChI=1S/C16H28N2O/c1-12(2)7-8-19-15-9-13(3)17-10-14(15)11-18-16(4,5)6/h9-10,12,18H,7-8,11H2,1-6H3
InChIKeyFHGVNJIWEHWVCF-UHFFFAOYSA-N
XLogP3.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine (CID 81255353) is 2-methyl-N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine is Cc1cc(OCCC(C)C)c(CNC(C)(C)C)cn1.
What is the InChIKey of 2-methyl-N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is FHGVNJIWEHWVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12(2)7-8-19-15-9-13(3)17-10-14(15)11-18-16(4,5)6/h9-10,12,18H,7-8,11H2,1-6H3.
What are the key properties of 2-methyl-N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 264.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81255353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).