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

C14H24N2O — CID 102985999

IUPACN-[(6-pentan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
SMILESCCCC(C)Oc1cccc(CNC(C)C)n1
InChIInChI=1S/C14H24N2O/c1-5-7-12(4)17-14-9-6-8-13(16-14)10-15-11(2)3/h6,8-9,11-12,15H,5,7,10H2,1-4H3
InChIKeyVYUOKSWLPOLWPL-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.15
Rot. Bonds7

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

N-[(6-pentan-2-yloxy-2-pyridinyl)methyl]propan-2-amine (PubChem CID 102985999) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(6-pentan-2-yloxy-2-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-pentan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
PubChem CID102985999
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[(6-pentan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
SMILESCCCC(C)Oc1cccc(CNC(C)C)n1
InChIInChI=1S/C14H24N2O/c1-5-7-12(4)17-14-9-6-8-13(16-14)10-15-11(2)3/h6,8-9,11-12,15H,5,7,10H2,1-4H3
InChIKeyVYUOKSWLPOLWPL-UHFFFAOYSA-N
XLogP3.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-octan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
CID 63489673
N-[(6-propan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
CID 62290162
N-[[6-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine
CID 103285393
N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine
CID 62291321
N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine
CID 55058638
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437
N-[[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62296382
N-[[6-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 55058800
N-[[6-(2,3-difluorophenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 63038557
N-[(6-but-2-enoxy-2-pyridinyl)methyl]propan-2-amine
CID 76938376
N-[(6-methoxy-2-pyridinyl)methyl]hexan-2-amine
CID 63985472
N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 116802934

Frequently Asked Questions

What is the IUPAC name of N-[(6-pentan-2-yloxy-2-pyridinyl)methyl]propan-2-amine?
The IUPAC name of N-[(6-pentan-2-yloxy-2-pyridinyl)methyl]propan-2-amine (CID 102985999) is N-[(6-pentan-2-yloxy-2-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-pentan-2-yloxy-2-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-pentan-2-yloxy-2-pyridinyl)methyl]propan-2-amine is CCCC(C)Oc1cccc(CNC(C)C)n1.
What is the InChIKey of N-[(6-pentan-2-yloxy-2-pyridinyl)methyl]propan-2-amine?
The InChIKey is VYUOKSWLPOLWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-7-12(4)17-14-9-6-8-13(16-14)10-15-11(2)3/h6,8-9,11-12,15H,5,7,10H2,1-4H3.
What are the key properties of N-[(6-pentan-2-yloxy-2-pyridinyl)methyl]propan-2-amine?
N-[(6-pentan-2-yloxy-2-pyridinyl)methyl]propan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-pentan-2-yloxy-2-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 102985999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).