N-(2-ethyl-4-fluorobutyl)-4,4-dimethylhex-1-en-2-amine

C14H28FN — CID 153384724

IUPACN-(2-ethyl-4-fluorobutyl)-4,4-dimethylhex-1-en-2-amine
SMILESC=C(CC(C)(C)CC)NCC(CC)CCF
InChIInChI=1S/C14H28FN/c1-6-13(8-9-15)11-16-12(3)10-14(4,5)7-2/h13,16H,3,6-11H2,1-2,4-5H3
InChIKeyJMNRJFXNLCWSFP-UHFFFAOYSA-N
MW229.38 g/mol
LogP4.30
Rot. Bonds9

About N-(2-ethyl-4-fluorobutyl)-4,4-dimethylhex-1-en-2-amine

N-(2-ethyl-4-fluorobutyl)-4,4-dimethylhex-1-en-2-amine (PubChem CID 153384724) has the molecular formula C14H28FN and a molecular weight of 229.38 g/mol. Its IUPAC name is N-(2-ethyl-4-fluorobutyl)-4,4-dimethylhex-1-en-2-amine.

Molecular Properties

Compound NameN-(2-ethyl-4-fluorobutyl)-4,4-dimethylhex-1-en-2-amine
PubChem CID153384724
Molecular FormulaC14H28FN
Molecular Weight229.38 g/mol
Exact Mass229.22
IUPAC NameN-(2-ethyl-4-fluorobutyl)-4,4-dimethylhex-1-en-2-amine
SMILESC=C(CC(C)(C)CC)NCC(CC)CCF
InChIInChI=1S/C14H28FN/c1-6-13(8-9-15)11-16-12(3)10-14(4,5)7-2/h13,16H,3,6-11H2,1-2,4-5H3
InChIKeyJMNRJFXNLCWSFP-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine
CID 126559121
N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine
CID 134441684
3-Ethyl-4-fluoro-2-methyl-5-methylidenepyrrolidine
CID 139386567
4-N-(4-fluoro-5-methylhexyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine
CID 139394923
3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine
CID 143513257
2-fluoro-3,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine
CID 153602081
3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine
CID 155730429
N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-2-methylpropan-1-amine
CID 164556248
2-fluoro-3,3,10-trimethyl-N-(3-methylbut-1-en-2-yl)undec-10-en-1-amine
CID 169881078
2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)butan-1-amine
CID 170005371
2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylhexane-1,6-diamine
CID 170005542
2-fluoro-N',3-dimethyl-N-(3-methylbut-1-en-2-yl)hexane-1,6-diamine
CID 170040888

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-fluorobutyl)-4,4-dimethylhex-1-en-2-amine?
The IUPAC name of N-(2-ethyl-4-fluorobutyl)-4,4-dimethylhex-1-en-2-amine (CID 153384724) is N-(2-ethyl-4-fluorobutyl)-4,4-dimethylhex-1-en-2-amine.
What is the SMILES notation for N-(2-ethyl-4-fluorobutyl)-4,4-dimethylhex-1-en-2-amine?
The canonical SMILES for N-(2-ethyl-4-fluorobutyl)-4,4-dimethylhex-1-en-2-amine is C=C(CC(C)(C)CC)NCC(CC)CCF.
What is the InChIKey of N-(2-ethyl-4-fluorobutyl)-4,4-dimethylhex-1-en-2-amine?
The InChIKey is JMNRJFXNLCWSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FN/c1-6-13(8-9-15)11-16-12(3)10-14(4,5)7-2/h13,16H,3,6-11H2,1-2,4-5H3.
What are the key properties of N-(2-ethyl-4-fluorobutyl)-4,4-dimethylhex-1-en-2-amine?
N-(2-ethyl-4-fluorobutyl)-4,4-dimethylhex-1-en-2-amine has a molecular weight of 229.38 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-fluorobutyl)-4,4-dimethylhex-1-en-2-amine is sourced from PubChem (CID 153384724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).