4-fluoro-2-(3-methylbutyl)-2-propylhexan-1-amine

C14H30FN — CID 168881109

IUPAC4-fluoro-2-(3-methylbutyl)-2-propylhexan-1-amine
SMILESCCCC(CN)(CCC(C)C)CC(F)CC
InChIInChI=1S/C14H30FN/c1-5-8-14(11-16,9-7-12(3)4)10-13(15)6-2/h12-13H,5-11,16H2,1-4H3
InChIKeySYJSKXHFPAWBRV-UHFFFAOYSA-N
MW231.40 g/mol
LogP4.31
Rot. Bonds9

About 4-fluoro-2-(3-methylbutyl)-2-propylhexan-1-amine

4-fluoro-2-(3-methylbutyl)-2-propylhexan-1-amine (PubChem CID 168881109) has the molecular formula C14H30FN and a molecular weight of 231.40 g/mol. Its IUPAC name is 4-fluoro-2-(3-methylbutyl)-2-propylhexan-1-amine.

Molecular Properties

Compound Name4-fluoro-2-(3-methylbutyl)-2-propylhexan-1-amine
PubChem CID168881109
Molecular FormulaC14H30FN
Molecular Weight231.40 g/mol
Exact Mass231.24
IUPAC Name4-fluoro-2-(3-methylbutyl)-2-propylhexan-1-amine
SMILESCCCC(CN)(CCC(C)C)CC(F)CC
InChIInChI=1S/C14H30FN/c1-5-8-14(11-16,9-7-12(3)4)10-13(15)6-2/h12-13H,5-11,16H2,1-4H3
InChIKeySYJSKXHFPAWBRV-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-ethyl-4-fluoro-2-(3-methylbutyl)hexane-1-thiol
CID 168880917
2-ethyl-4-fluoro-2-propylhexan-1-ol
CID 168880821
2-(aminomethyl)-4-methyl-2-propylhexan-1-ol
CID 106506327
2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane
CID 158412329
4,4-diethyl-2,7-dimethyloctane
CID 57492571
3-(aminomethyl)-3-propylhexan-1-ol
CID 66092129
2-(aminomethyl)-4-methyl-2-(2-propoxyethyl)pentan-1-ol
CID 106507904
tris(2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane);methane
CID 167580098
2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol
CID 106507831
2-(aminomethyl)-2-(2-propoxyethyl)pentan-1-ol
CID 106506442
2-N-butan-2-yl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 43274363
(4S)-4-fluoro-2,2-dimethylhexane
CID 134192582

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-methylbutyl)-2-propylhexan-1-amine?
The IUPAC name of 4-fluoro-2-(3-methylbutyl)-2-propylhexan-1-amine (CID 168881109) is 4-fluoro-2-(3-methylbutyl)-2-propylhexan-1-amine.
What is the SMILES notation for 4-fluoro-2-(3-methylbutyl)-2-propylhexan-1-amine?
The canonical SMILES for 4-fluoro-2-(3-methylbutyl)-2-propylhexan-1-amine is CCCC(CN)(CCC(C)C)CC(F)CC.
What is the InChIKey of 4-fluoro-2-(3-methylbutyl)-2-propylhexan-1-amine?
The InChIKey is SYJSKXHFPAWBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30FN/c1-5-8-14(11-16,9-7-12(3)4)10-13(15)6-2/h12-13H,5-11,16H2,1-4H3.
What are the key properties of 4-fluoro-2-(3-methylbutyl)-2-propylhexan-1-amine?
4-fluoro-2-(3-methylbutyl)-2-propylhexan-1-amine has a molecular weight of 231.40 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-methylbutyl)-2-propylhexan-1-amine is sourced from PubChem (CID 168881109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).