N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine

C17H30N2O — CID 63491513

IUPACN-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine
SMILESCCCCCCCCCCNCc1cccnc1OC
InChIInChI=1S/C17H30N2O/c1-3-4-5-6-7-8-9-10-13-18-15-16-12-11-14-19-17(16)20-2/h11-12,14,18H,3-10,13,15H2,1-2H3
InChIKeyVXJYPWKZYCWPTB-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.32
Rot. Bonds12

About N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine

N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine (PubChem CID 63491513) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine
PubChem CID63491513
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine
SMILESCCCCCCCCCCNCc1cccnc1OC
InChIInChI=1S/C17H30N2O/c1-3-4-5-6-7-8-9-10-13-18-15-16-12-11-14-19-17(16)20-2/h11-12,14,18H,3-10,13,15H2,1-2H3
InChIKeyVXJYPWKZYCWPTB-UHFFFAOYSA-N
XLogP4.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
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'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
CID 21271684
N-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine
CID 114333213
N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
CID 63490010
5-[(2-methoxy-3-pyridinyl)methylamino]pentan-2-ol
CID 106130584
4-[(2-methoxy-3-pyridinyl)methylamino]butanoic acid
CID 60859167
N-[[2-[(heptylamino)methyl]phenyl]methyl]heptan-1-amine
CID 14801566
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
2-[(2-methoxy-3-pyridinyl)methylamino]ethanesulfonamide
CID 114384819
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine
CID 93316989
2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine
CID 63488126
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
3-chloro-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]butan-1-amine
CID 106242391

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine (CID 63491513) is N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine is CCCCCCCCCCNCc1cccnc1OC.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine?
The InChIKey is VXJYPWKZYCWPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-3-4-5-6-7-8-9-10-13-18-15-16-12-11-14-19-17(16)20-2/h11-12,14,18H,3-10,13,15H2,1-2H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine?
N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 4.32, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine is sourced from PubChem (CID 63491513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).