2-methyl-N-[[6-(2-methylpentoxymethyl)-3-pyridinyl]methyl]propan-1-amine

C17H30N2O — CID 103285679

IUPAC2-methyl-N-[[6-(2-methylpentoxymethyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCC(C)COCc1ccc(CNCC(C)C)cn1
InChIInChI=1S/C17H30N2O/c1-5-6-15(4)12-20-13-17-8-7-16(11-19-17)10-18-9-14(2)3/h7-8,11,14-15,18H,5-6,9-10,12-13H2,1-4H3
InChIKeyPSFUGRZBWBDWQG-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.78
Rot. Bonds10

About 2-methyl-N-[[6-(2-methylpentoxymethyl)-3-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[6-(2-methylpentoxymethyl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 103285679) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-methyl-N-[[6-(2-methylpentoxymethyl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-(2-methylpentoxymethyl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID103285679
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-methyl-N-[[6-(2-methylpentoxymethyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCC(C)COCc1ccc(CNCC(C)C)cn1
InChIInChI=1S/C17H30N2O/c1-5-6-15(4)12-20-13-17-8-7-16(11-19-17)10-18-9-14(2)3/h7-8,11,14-15,18H,5-6,9-10,12-13H2,1-4H3
InChIKeyPSFUGRZBWBDWQG-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82006767
2-methyl-N-[2-[4-(2-methylpentoxymethyl)phenyl]ethyl]propan-1-amine
CID 103285685
N-[[6-[2-(2-methylpropoxy)ethoxymethyl]-3-pyridinyl]methyl]propan-1-amine
CID 106450090
N-methyl-5-(2-methylpentoxymethyl)pyridin-2-amine
CID 103285298
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107688798
2-(methoxymethyl)-5-(2-methylpentyl)pyridine
CID 134277160
N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 104796281
2-methyl-N-[[4-(pentan-2-yloxymethyl)phenyl]methyl]propan-1-amine
CID 102986816
N-butyl-N-cyclopropyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62283589
2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 107887013
N-[(5-chloro-2-pyridinyl)methyl]-2-methylpentan-1-amine
CID 115908938
N,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine
CID 62292737

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-(2-methylpentoxymethyl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[6-(2-methylpentoxymethyl)-3-pyridinyl]methyl]propan-1-amine (CID 103285679) is 2-methyl-N-[[6-(2-methylpentoxymethyl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[6-(2-methylpentoxymethyl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[6-(2-methylpentoxymethyl)-3-pyridinyl]methyl]propan-1-amine is CCCC(C)COCc1ccc(CNCC(C)C)cn1.
What is the InChIKey of 2-methyl-N-[[6-(2-methylpentoxymethyl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is PSFUGRZBWBDWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-6-15(4)12-20-13-17-8-7-16(11-19-17)10-18-9-14(2)3/h7-8,11,14-15,18H,5-6,9-10,12-13H2,1-4H3.
What are the key properties of 2-methyl-N-[[6-(2-methylpentoxymethyl)-3-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[6-(2-methylpentoxymethyl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-(2-methylpentoxymethyl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 103285679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).