N-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine

C10H22FN — CID 102905569

IUPACN-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCCF)C(C)C
InChIInChI=1S/C10H22FN/c1-8(2)10(9(3)4)7-12-6-5-11/h8-10,12H,5-7H2,1-4H3
InChIKeyPFZDSTDZWRZGTF-UHFFFAOYSA-N
MW175.29 g/mol
LogP2.47
Rot. Bonds6

About N-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine

N-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine (PubChem CID 102905569) has the molecular formula C10H22FN and a molecular weight of 175.29 g/mol. Its IUPAC name is N-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine
PubChem CID102905569
Molecular FormulaC10H22FN
Molecular Weight175.29 g/mol
Exact Mass175.17
IUPAC NameN-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCCF)C(C)C
InChIInChI=1S/C10H22FN/c1-8(2)10(9(3)4)7-12-6-5-11/h8-10,12H,5-7H2,1-4H3
InChIKeyPFZDSTDZWRZGTF-UHFFFAOYSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoroethyl)-2-methylpropan-1-amine
CID 80699547
1-N-(2-fluoroethyl)-2-N-methylpropane-1,2-diamine
CID 130504617
N-(2-fluoroethyl)-2-methoxypropan-1-amine
CID 102698074
N-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine
CID 102905484
(2S)-3-(2-fluoroethylamino)-2-methylpropanenitrile
CID 147358419
N',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102905428
4-[(3-methyl-2-propan-2-ylbutyl)amino]butanenitrile
CID 102905397
1-N-(3-methyl-2-propan-2-ylbutyl)hexane-1,5-diamine
CID 102913647
3-methyl-N-[2-(3-methylbutoxy)ethyl]-2-propan-2-ylbutan-1-amine
CID 102905338
3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine
CID 102904680
N,2-dimethyl-N'-(3-methyl-2-propan-2-ylbutyl)propane-1,3-diamine
CID 102913460
4-(2-fluoroethylamino)butan-2-ol
CID 80697261

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The IUPAC name of N-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine (CID 102905569) is N-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for N-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine is CC(C)C(CNCCF)C(C)C.
What is the InChIKey of N-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The InChIKey is PFZDSTDZWRZGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FN/c1-8(2)10(9(3)4)7-12-6-5-11/h8-10,12H,5-7H2,1-4H3.
What are the key properties of N-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
N-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine has a molecular weight of 175.29 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102905569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).