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

C18H32N2O — CID 63488126

IUPAC2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCCCCCCOc1ncccc1CNCC(C)C
InChIInChI=1S/C18H32N2O/c1-4-5-6-7-8-9-13-21-18-17(11-10-12-20-18)15-19-14-16(2)3/h10-12,16,19H,4-9,13-15H2,1-3H3
InChIKeyOKSFBYXBKGBDEJ-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.57
Rot. Bonds12

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

2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 63488126) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID63488126
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCCCCCCOc1ncccc1CNCC(C)C
InChIInChI=1S/C18H32N2O/c1-4-5-6-7-8-9-13-21-18-17(11-10-12-20-18)15-19-14-16(2)3/h10-12,16,19H,4-9,13-15H2,1-3H3
InChIKeyOKSFBYXBKGBDEJ-UHFFFAOYSA-N
XLogP4.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
CID 63490010
2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62290330
N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine
CID 62292620
N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292572
N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 81254076
N-[(3-bromo-2-heptoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487238
N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487393
N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine
CID 63491513
2-methyl-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296801
N-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine
CID 62292560
2-methyl-N-[[2-(oxan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62291392
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine
CID 93316989

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine (CID 63488126) is 2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine is CCCCCCCCOc1ncccc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is OKSFBYXBKGBDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-4-5-6-7-8-9-13-21-18-17(11-10-12-20-18)15-19-14-16(2)3/h10-12,16,19H,4-9,13-15H2,1-3H3.
What are the key properties of 2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine?
2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 4.57, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 63488126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).