N-[[3-(2-butoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine

C17H30N2O2 — CID 79158487

IUPACN-[[3-(2-butoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCCCCOCCOc1ccc(C)nc1CNCC(C)C
InChIInChI=1S/C17H30N2O2/c1-5-6-9-20-10-11-21-17-8-7-15(4)19-16(17)13-18-12-14(2)3/h7-8,14,18H,5-6,9-13H2,1-4H3
InChIKeyVATOXCXFQMXKGF-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.33
Rot. Bonds11

About N-[[3-(2-butoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[3-(2-butoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 79158487) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[[3-(2-butoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-butoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID79158487
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[[3-(2-butoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCCCCOCCOc1ccc(C)nc1CNCC(C)C
InChIInChI=1S/C17H30N2O2/c1-5-6-9-20-10-11-21-17-8-7-15(4)19-16(17)13-18-12-14(2)3/h7-8,14,18H,5-6,9-13H2,1-4H3
InChIKeyVATOXCXFQMXKGF-UHFFFAOYSA-N
XLogP3.33
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79156805
N-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81106538
N-[[3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79159102
N-[[3-(methoxymethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79156612
N-[[4-(2-butoxyethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81253479
2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
CID 103175707
N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79150445
N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150680
N-methyl-1-[6-methyl-3-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanamine
CID 106450396
2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanoic acid
CID 79157379
2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79158480
2-methyl-N-[[6-methyl-3-(oxan-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79156998

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-butoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(2-butoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine (CID 79158487) is N-[[3-(2-butoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(2-butoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(2-butoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine is CCCCOCCOc1ccc(C)nc1CNCC(C)C.
What is the InChIKey of N-[[3-(2-butoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is VATOXCXFQMXKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-6-9-20-10-11-21-17-8-7-15(4)19-16(17)13-18-12-14(2)3/h7-8,14,18H,5-6,9-13H2,1-4H3.
What are the key properties of N-[[3-(2-butoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[3-(2-butoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 3.33, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-butoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79158487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).