N-[(6-octan-2-yloxy-2-pyridinyl)methyl]propan-2-amine

C17H30N2O — CID 63489673

IUPACN-[(6-octan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
SMILESCCCCCCC(C)Oc1cccc(CNC(C)C)n1
InChIInChI=1S/C17H30N2O/c1-5-6-7-8-10-15(4)20-17-12-9-11-16(19-17)13-18-14(2)3/h9,11-12,14-15,18H,5-8,10,13H2,1-4H3
InChIKeyWNMYVMXQXZKOQM-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.32
Rot. Bonds10

About N-[(6-octan-2-yloxy-2-pyridinyl)methyl]propan-2-amine

N-[(6-octan-2-yloxy-2-pyridinyl)methyl]propan-2-amine (PubChem CID 63489673) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[(6-octan-2-yloxy-2-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-octan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
PubChem CID63489673
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[(6-octan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
SMILESCCCCCCC(C)Oc1cccc(CNC(C)C)n1
InChIInChI=1S/C17H30N2O/c1-5-6-7-8-10-15(4)20-17-12-9-11-16(19-17)13-18-14(2)3/h9,11-12,14-15,18H,5-8,10,13H2,1-4H3
InChIKeyWNMYVMXQXZKOQM-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
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-[(6-pentan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
CID 102985999
N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine
CID 55058638
N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine
CID 62291321
N-[(6-propan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
CID 62290162
CID 18551752
CID 18551752
N-[[6-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine
CID 103285393
N-[(6-methoxy-2-pyridinyl)methyl]hexan-2-amine
CID 63985472
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437
N-[[6-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 55058800
N-[[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62296382
N-[[6-(2,3-difluorophenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 63038557
N-methyl-N-pentyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 55054776

Frequently Asked Questions

What is the IUPAC name of N-[(6-octan-2-yloxy-2-pyridinyl)methyl]propan-2-amine?
The IUPAC name of N-[(6-octan-2-yloxy-2-pyridinyl)methyl]propan-2-amine (CID 63489673) is N-[(6-octan-2-yloxy-2-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-octan-2-yloxy-2-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-octan-2-yloxy-2-pyridinyl)methyl]propan-2-amine is CCCCCCC(C)Oc1cccc(CNC(C)C)n1.
What is the InChIKey of N-[(6-octan-2-yloxy-2-pyridinyl)methyl]propan-2-amine?
The InChIKey is WNMYVMXQXZKOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-6-7-8-10-15(4)20-17-12-9-11-16(19-17)13-18-14(2)3/h9,11-12,14-15,18H,5-8,10,13H2,1-4H3.
What are the key properties of N-[(6-octan-2-yloxy-2-pyridinyl)methyl]propan-2-amine?
N-[(6-octan-2-yloxy-2-pyridinyl)methyl]propan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-octan-2-yloxy-2-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 63489673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).