ethane;N-[(2-fluoro-4-pyridinyl)methyl]hexan-1-amine

C14H25FN2 — CID 163299315

IUPACethane;N-[(2-fluoro-4-pyridinyl)methyl]hexan-1-amine
SMILESCC.CCCCCCNCc1ccnc(F)c1
InChIInChI=1S/C12H19FN2.C2H6/c1-2-3-4-5-7-14-10-11-6-8-15-12(13)9-11;1-2/h6,8-9,14H,2-5,7,10H2,1H3;1-2H3
InChIKeyFFKGKLKCBYHLKZ-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.92
Rot. Bonds7

About ethane;N-[(2-fluoro-4-pyridinyl)methyl]hexan-1-amine

ethane;N-[(2-fluoro-4-pyridinyl)methyl]hexan-1-amine (PubChem CID 163299315) has the molecular formula C14H25FN2 and a molecular weight of 240.37 g/mol. Its IUPAC name is ethane;N-[(2-fluoro-4-pyridinyl)methyl]hexan-1-amine.

Molecular Properties

Compound Nameethane;N-[(2-fluoro-4-pyridinyl)methyl]hexan-1-amine
PubChem CID163299315
Molecular FormulaC14H25FN2
Molecular Weight240.37 g/mol
Exact Mass240.20
IUPAC Nameethane;N-[(2-fluoro-4-pyridinyl)methyl]hexan-1-amine
SMILESCC.CCCCCCNCc1ccnc(F)c1
InChIInChI=1S/C12H19FN2.C2H6/c1-2-3-4-5-7-14-10-11-6-8-15-12(13)9-11;1-2/h6,8-9,14H,2-5,7,10H2,1H3;1-2H3
InChIKeyFFKGKLKCBYHLKZ-UHFFFAOYSA-N
XLogP3.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[(octylamino)methyl]phenyl]methyl]octan-1-amine
CID 10784784
N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide
CID 136920360
N-[(4-bromo-3-fluorophenyl)methyl]hexan-1-amine
CID 81436257
2,6-difluoro-4-[(octylamino)methyl]phenol
CID 115566997
N-[(3-bromo-4-methylphenyl)methyl]hexan-1-amine
CID 105401081
N-[(6-methyl-3-pyridinyl)methyl]heptan-1-amine
CID 62996508
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
N-[(3-ethoxyphenyl)methyl]heptan-1-amine
CID 4717571
N,N-diethyl-3-[(octadecylamino)methyl]aniline
CID 132514065
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2-fluoro-4-pyridinyl)methyl]hexan-1-amine?
The IUPAC name of ethane;N-[(2-fluoro-4-pyridinyl)methyl]hexan-1-amine (CID 163299315) is ethane;N-[(2-fluoro-4-pyridinyl)methyl]hexan-1-amine.
What is the SMILES notation for ethane;N-[(2-fluoro-4-pyridinyl)methyl]hexan-1-amine?
The canonical SMILES for ethane;N-[(2-fluoro-4-pyridinyl)methyl]hexan-1-amine is CC.CCCCCCNCc1ccnc(F)c1.
What is the InChIKey of ethane;N-[(2-fluoro-4-pyridinyl)methyl]hexan-1-amine?
The InChIKey is FFKGKLKCBYHLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2.C2H6/c1-2-3-4-5-7-14-10-11-6-8-15-12(13)9-11;1-2/h6,8-9,14H,2-5,7,10H2,1H3;1-2H3.
What are the key properties of ethane;N-[(2-fluoro-4-pyridinyl)methyl]hexan-1-amine?
ethane;N-[(2-fluoro-4-pyridinyl)methyl]hexan-1-amine has a molecular weight of 240.37 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2-fluoro-4-pyridinyl)methyl]hexan-1-amine is sourced from PubChem (CID 163299315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).