N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine

C13H22N2 — CID 80708681

IUPACN-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine
SMILESCCCCCCNCc1ccc(C)cn1
InChIInChI=1S/C13H22N2/c1-3-4-5-6-9-14-11-13-8-7-12(2)10-15-13/h7-8,10,14H,3-6,9,11H2,1-2H3
InChIKeySSBKMQBFGHAJDK-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.06
Rot. Bonds7

About N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine

N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine (PubChem CID 80708681) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine
PubChem CID80708681
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine
SMILESCCCCCCNCc1ccc(C)cn1
InChIInChI=1S/C13H22N2/c1-3-4-5-6-9-14-11-13-8-7-12(2)10-15-13/h7-8,10,14H,3-6,9,11H2,1-2H3
InChIKeySSBKMQBFGHAJDK-UHFFFAOYSA-N
XLogP3.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
CID 80708848
N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 81313009
4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine
CID 115698997
N-[(5-methyl-2-pyridinyl)methyl]-3-phenoxypropan-1-amine
CID 80708453
3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile
CID 81311804
3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine
CID 80707820
N-[(4-methylphenyl)methyl]octan-1-amine;hydrochloride
CID 17331169
2-ethyl-N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
CID 115698947
N-[2-[(5-methyl-2-pyridinyl)methylamino]ethyl]methanesulfonamide
CID 80709456
N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 80707733
N-[(6-methyl-3-pyridinyl)methyl]heptan-1-amine
CID 62996508
2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708858

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine?
The IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine (CID 80708681) is N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine.
What is the SMILES notation for N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine?
The canonical SMILES for N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine is CCCCCCNCc1ccc(C)cn1.
What is the InChIKey of N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine?
The InChIKey is SSBKMQBFGHAJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-4-5-6-9-14-11-13-8-7-12(2)10-15-13/h7-8,10,14H,3-6,9,11H2,1-2H3.
What are the key properties of N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine?
N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine is sourced from PubChem (CID 80708681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).