N-[[4-(2-butoxyethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine

C17H30N2O2 — CID 81253479

IUPACN-[[4-(2-butoxyethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCCCCOCCOc1cc(C)ncc1CNCC(C)C
InChIInChI=1S/C17H30N2O2/c1-5-6-7-20-8-9-21-17-10-15(4)19-13-16(17)12-18-11-14(2)3/h10,13-14,18H,5-9,11-12H2,1-4H3
InChIKeyRZTPVMHHZULGPR-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.33
Rot. Bonds11

About N-[[4-(2-butoxyethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[4-(2-butoxyethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 81253479) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[[4-(2-butoxyethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-butoxyethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID81253479
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[[4-(2-butoxyethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCCCCOCCOc1cc(C)ncc1CNCC(C)C
InChIInChI=1S/C17H30N2O2/c1-5-6-7-20-8-9-21-17-10-15(4)19-13-16(17)12-18-11-14(2)3/h10,13-14,18H,5-9,11-12H2,1-4H3
InChIKeyRZTPVMHHZULGPR-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

2-methyl-N-[[6-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methyl]propan-1-amine
CID 115942783
2-methyl-N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine
CID 81250974
N-[[3-(2-butoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79158487
N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81254555
2-methyl-N-[[6-methyl-4-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253361
N-[[6-methyl-4-(2-propoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81250179
2-methyl-N-[(6-methyl-4-phenylmethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81255067
N-[[4-(2-methoxyethoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254724
2-methyl-N-[[6-methyl-4-(2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253703
N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62292365
N-methyl-1-[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methanamine
CID 81254987
N-[[5-fluoro-2-(2-propoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107696798

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-butoxyethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(2-butoxyethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 81253479) is N-[[4-(2-butoxyethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(2-butoxyethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(2-butoxyethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine is CCCCOCCOc1cc(C)ncc1CNCC(C)C.
What is the InChIKey of N-[[4-(2-butoxyethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is RZTPVMHHZULGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-6-7-20-8-9-21-17-10-15(4)19-13-16(17)12-18-11-14(2)3/h10,13-14,18H,5-9,11-12H2,1-4H3.
What are the key properties of N-[[4-(2-butoxyethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[4-(2-butoxyethoxy)-6-methyl-3-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-[[4-(2-butoxyethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81253479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).