N-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine

C14H24N2O — CID 63946078

IUPACN-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine
SMILESCCCCC(CC)NCc1ccc(OC)nc1
InChIInChI=1S/C14H24N2O/c1-4-6-7-13(5-2)15-10-12-8-9-14(17-3)16-11-12/h8-9,11,13,15H,4-7,10H2,1-3H3
InChIKeyWMIZJXJWPFAOKX-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.15
Rot. Bonds8

About N-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine

N-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine (PubChem CID 63946078) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine
PubChem CID63946078
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine
SMILESCCCCC(CC)NCc1ccc(OC)nc1
InChIInChI=1S/C14H24N2O/c1-4-6-7-13(5-2)15-10-12-8-9-14(17-3)16-11-12/h8-9,11,13,15H,4-7,10H2,1-3H3
InChIKeyWMIZJXJWPFAOKX-UHFFFAOYSA-N
XLogP3.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

1-(4-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 43206327
1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 103271063
methyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate
CID 113292334
1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 175358714
N-(pyridin-4-ylmethyl)heptan-3-amine
CID 63947303
ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989922
methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate
CID 104578651
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43206362
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712225
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine
CID 83156007
3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile
CID 62991342
(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine (CID 63946078) is N-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine is CCCCC(CC)NCc1ccc(OC)nc1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine?
The InChIKey is WMIZJXJWPFAOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-6-7-13(5-2)15-10-12-8-9-14(17-3)16-11-12/h8-9,11,13,15H,4-7,10H2,1-3H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine?
N-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine has a molecular weight of 236.36 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine is sourced from PubChem (CID 63946078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).