N,N-dimethyl-1-[6-methyl-3-[(1S)-1-(oxan-4-yloxy)ethyl]-2-pyridinyl]methanamine

C16H26N2O2 — CID 167458569

IUPACN,N-dimethyl-1-[6-methyl-3-[(1S)-1-(oxan-4-yloxy)ethyl]-2-pyridinyl]methanamine
SMILESCc1ccc([C@H](C)OC2CCOCC2)c(CN(C)C)n1
InChIInChI=1S/C16H26N2O2/c1-12-5-6-15(16(17-12)11-18(3)4)13(2)20-14-7-9-19-10-8-14/h5-6,13-14H,7-11H2,1-4H3/t13-/m0/s1
InChIKeyAWKJJWVBOIOVAD-ZDUSSCGKSA-N
MW278.40 g/mol
LogP2.71
Rot. Bonds5

About N,N-dimethyl-1-[6-methyl-3-[(1S)-1-(oxan-4-yloxy)ethyl]-2-pyridinyl]methanamine

N,N-dimethyl-1-[6-methyl-3-[(1S)-1-(oxan-4-yloxy)ethyl]-2-pyridinyl]methanamine (PubChem CID 167458569) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[6-methyl-3-[(1S)-1-(oxan-4-yloxy)ethyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[6-methyl-3-[(1S)-1-(oxan-4-yloxy)ethyl]-2-pyridinyl]methanamine
PubChem CID167458569
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN,N-dimethyl-1-[6-methyl-3-[(1S)-1-(oxan-4-yloxy)ethyl]-2-pyridinyl]methanamine
SMILESCc1ccc([C@H](C)OC2CCOCC2)c(CN(C)C)n1
InChIInChI=1S/C16H26N2O2/c1-12-5-6-15(16(17-12)11-18(3)4)13(2)20-14-7-9-19-10-8-14/h5-6,13-14H,7-11H2,1-4H3/t13-/m0/s1
InChIKeyAWKJJWVBOIOVAD-ZDUSSCGKSA-N
XLogP2.71
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.71
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-methyl-3-[(1S)-1-(oxan-4-yloxy)ethyl]-2-pyridinyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[6-methyl-3-[(1S)-1-(oxan-4-yloxy)ethyl]-2-pyridinyl]methanamine (CID 167458569) is N,N-dimethyl-1-[6-methyl-3-[(1S)-1-(oxan-4-yloxy)ethyl]-2-pyridinyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[6-methyl-3-[(1S)-1-(oxan-4-yloxy)ethyl]-2-pyridinyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[6-methyl-3-[(1S)-1-(oxan-4-yloxy)ethyl]-2-pyridinyl]methanamine is Cc1ccc([C@H](C)OC2CCOCC2)c(CN(C)C)n1.
What is the InChIKey of N,N-dimethyl-1-[6-methyl-3-[(1S)-1-(oxan-4-yloxy)ethyl]-2-pyridinyl]methanamine?
The InChIKey is AWKJJWVBOIOVAD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12-5-6-15(16(17-12)11-18(3)4)13(2)20-14-7-9-19-10-8-14/h5-6,13-14H,7-11H2,1-4H3/t13-/m0/s1.
What are the key properties of N,N-dimethyl-1-[6-methyl-3-[(1S)-1-(oxan-4-yloxy)ethyl]-2-pyridinyl]methanamine?
N,N-dimethyl-1-[6-methyl-3-[(1S)-1-(oxan-4-yloxy)ethyl]-2-pyridinyl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 2.71, 5 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-methyl-3-[(1S)-1-(oxan-4-yloxy)ethyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 167458569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).