N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;3-methoxyoxolane

C16H28N2O2 — CID 167458551

IUPACN,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;3-methoxyoxolane
SMILESCC(C)c1cccc(CN(C)C)n1.COC1CCOC1
InChIInChI=1S/C11H18N2.C5H10O2/c1-9(2)11-7-5-6-10(12-11)8-13(3)4;1-6-5-2-3-7-4-5/h5-7,9H,8H2,1-4H3;5H,2-4H2,1H3
InChIKeySGIKWIFWNRTYOC-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.69
Rot. Bonds4

About N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;3-methoxyoxolane

N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;3-methoxyoxolane (PubChem CID 167458551) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;3-methoxyoxolane.

Molecular Properties

Compound NameN,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;3-methoxyoxolane
PubChem CID167458551
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;3-methoxyoxolane
SMILESCC(C)c1cccc(CN(C)C)n1.COC1CCOC1
InChIInChI=1S/C11H18N2.C5H10O2/c1-9(2)11-7-5-6-10(12-11)8-13(3)4;1-6-5-2-3-7-4-5/h5-7,9H,8H2,1-4H3;5H,2-4H2,1H3
InChIKeySGIKWIFWNRTYOC-UHFFFAOYSA-N
XLogP2.69
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;3-methoxyoxolane?
The IUPAC name of N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;3-methoxyoxolane (CID 167458551) is N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;3-methoxyoxolane.
What is the SMILES notation for N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;3-methoxyoxolane?
The canonical SMILES for N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;3-methoxyoxolane is CC(C)c1cccc(CN(C)C)n1.COC1CCOC1.
What is the InChIKey of N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;3-methoxyoxolane?
The InChIKey is SGIKWIFWNRTYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.C5H10O2/c1-9(2)11-7-5-6-10(12-11)8-13(3)4;1-6-5-2-3-7-4-5/h5-7,9H,8H2,1-4H3;5H,2-4H2,1H3.
What are the key properties of N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;3-methoxyoxolane?
N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;3-methoxyoxolane has a molecular weight of 280.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;3-methoxyoxolane is sourced from PubChem (CID 167458551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).