N-[(5-hept-6-enoxy-2-pyridinyl)methyl]propan-1-amine

C16H26N2O — CID 107006237

IUPACN-[(5-hept-6-enoxy-2-pyridinyl)methyl]propan-1-amine
SMILESC=CCCCCCOc1ccc(CNCCC)nc1
InChIInChI=1S/C16H26N2O/c1-3-5-6-7-8-12-19-16-10-9-15(18-14-16)13-17-11-4-2/h3,9-10,14,17H,1,4-8,11-13H2,2H3
InChIKeyFMKJQSXZIKNWDR-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.71
Rot. Bonds11

About N-[(5-hept-6-enoxy-2-pyridinyl)methyl]propan-1-amine

N-[(5-hept-6-enoxy-2-pyridinyl)methyl]propan-1-amine (PubChem CID 107006237) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(5-hept-6-enoxy-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-hept-6-enoxy-2-pyridinyl)methyl]propan-1-amine
PubChem CID107006237
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(5-hept-6-enoxy-2-pyridinyl)methyl]propan-1-amine
SMILESC=CCCCCCOc1ccc(CNCCC)nc1
InChIInChI=1S/C16H26N2O/c1-3-5-6-7-8-12-19-16-10-9-15(18-14-16)13-17-11-4-2/h3,9-10,14,17H,1,4-8,11-13H2,2H3
InChIKeyFMKJQSXZIKNWDR-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol
CID 79782983
(5-hept-6-enoxy-2-pyridinyl)methanamine
CID 107006235
N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine
CID 79793851
1-(5-but-3-enoxy-2-pyridinyl)-N-methylmethanamine
CID 79775770
N-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79782675
N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79783377
N-[(2-hept-6-enoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 107006122
6-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]hexan-1-ol
CID 107702731
N-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79781849
N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79781683
4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol
CID 79776524
N-[[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79783997

Frequently Asked Questions

What is the IUPAC name of N-[(5-hept-6-enoxy-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-hept-6-enoxy-2-pyridinyl)methyl]propan-1-amine (CID 107006237) is N-[(5-hept-6-enoxy-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-hept-6-enoxy-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-hept-6-enoxy-2-pyridinyl)methyl]propan-1-amine is C=CCCCCCOc1ccc(CNCCC)nc1.
What is the InChIKey of N-[(5-hept-6-enoxy-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is FMKJQSXZIKNWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-5-6-7-8-12-19-16-10-9-15(18-14-16)13-17-11-4-2/h3,9-10,14,17H,1,4-8,11-13H2,2H3.
What are the key properties of N-[(5-hept-6-enoxy-2-pyridinyl)methyl]propan-1-amine?
N-[(5-hept-6-enoxy-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 3.71, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-hept-6-enoxy-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 107006237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).