N-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine

C15H25FN2 — CID 114200992

IUPACN-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine
SMILESCCNC(CC(C)CC(C)C)c1ccncc1F
InChIInChI=1S/C15H25FN2/c1-5-18-15(9-12(4)8-11(2)3)13-6-7-17-10-14(13)16/h6-7,10-12,15,18H,5,8-9H2,1-4H3
InChIKeyNMQIIEJZYWMOHI-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.94
Rot. Bonds7

About N-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine

N-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine (PubChem CID 114200992) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine
PubChem CID114200992
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine
SMILESCCNC(CC(C)CC(C)C)c1ccncc1F
InChIInChI=1S/C15H25FN2/c1-5-18-15(9-12(4)8-11(2)3)13-6-7-17-10-14(13)16/h6-7,10-12,15,18H,5,8-9H2,1-4H3
InChIKeyNMQIIEJZYWMOHI-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-pyridinyl)-N-ethyl-3,5-dimethylhexan-1-amine
CID 114201768
N-ethyl-1-(3-fluoro-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 104738490
N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine
CID 66272697
1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine
CID 113447304
N-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
CID 104738270
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63082631
N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 104738170
N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine
CID 104738570
1-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 104738429
N-ethyl-3-methyl-1-pyridin-4-ylbutan-1-amine
CID 60820218
N-ethyl-1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-amine
CID 105038119
N-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine
CID 104739414

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine?
The IUPAC name of N-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine (CID 114200992) is N-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine?
The canonical SMILES for N-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine is CCNC(CC(C)CC(C)C)c1ccncc1F.
What is the InChIKey of N-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine?
The InChIKey is NMQIIEJZYWMOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-5-18-15(9-12(4)8-11(2)3)13-6-7-17-10-14(13)16/h6-7,10-12,15,18H,5,8-9H2,1-4H3.
What are the key properties of N-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine?
N-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine has a molecular weight of 252.38 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine is sourced from PubChem (CID 114200992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).