N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3-fluorobutan-1-amine

C14H31FN2O — CID 138460816

IUPACN-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3-fluorobutan-1-amine
SMILESCC(C)(C)NCCOCC(F)CCNC(C)(C)C
InChIInChI=1S/C14H31FN2O/c1-13(2,3)16-8-7-12(15)11-18-10-9-17-14(4,5)6/h12,16-17H,7-11H2,1-6H3
InChIKeyGRCKZUOASUBUQS-UHFFFAOYSA-N
MW262.41 g/mol
LogP2.51
Rot. Bonds8

About N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3-fluorobutan-1-amine

N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3-fluorobutan-1-amine (PubChem CID 138460816) has the molecular formula C14H31FN2O and a molecular weight of 262.41 g/mol. Its IUPAC name is N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3-fluorobutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3-fluorobutan-1-amine
PubChem CID138460816
Molecular FormulaC14H31FN2O
Molecular Weight262.41 g/mol
Exact Mass262.24
IUPAC NameN-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3-fluorobutan-1-amine
SMILESCC(C)(C)NCCOCC(F)CCNC(C)(C)C
InChIInChI=1S/C14H31FN2O/c1-13(2,3)16-8-7-12(15)11-18-10-9-17-14(4,5)6/h12,16-17H,7-11H2,1-6H3
InChIKeyGRCKZUOASUBUQS-UHFFFAOYSA-N
XLogP2.51
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3,3-difluorobutan-1-amine
CID 138460818
4-(2-aminoethoxy)-N-tert-butyl-3-fluorobutan-1-amine
CID 156047429
4-(2-aminoethoxy)-3-fluoro-N-propan-2-ylbutan-1-amine
CID 156142583
4-(2-aminoethoxy)-3,3-difluoro-N-propan-2-ylbutan-1-amine
CID 156142584
N-tert-butyl-3-fluoro-4-(2-propoxyethoxy)butan-1-amine
CID 161036345
N-tert-butyl-3-fluoro-4-propoxybutan-1-amine
CID 161607676
N-tert-butyl-3,3-difluoro-4-propoxybutan-1-amine
CID 161607677
N-tert-butyl-3-fluoro-4-[2-(propan-2-ylamino)ethoxy]butan-1-amine
CID 167254516
2-methyl-4-[2-[methyl(propyl)amino]ethoxy]-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 169692672
N'-[1-(1-fluoroethoxy)-2-methylpropan-2-yl]ethane-1,2-diamine
CID 170104491
N-tert-butyl-4-fluorooxolan-3-amine
CID 178441075
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-2-amine
CID 61328926

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3-fluorobutan-1-amine?
The IUPAC name of N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3-fluorobutan-1-amine (CID 138460816) is N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3-fluorobutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3-fluorobutan-1-amine?
The canonical SMILES for N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3-fluorobutan-1-amine is CC(C)(C)NCCOCC(F)CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3-fluorobutan-1-amine?
The InChIKey is GRCKZUOASUBUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31FN2O/c1-13(2,3)16-8-7-12(15)11-18-10-9-17-14(4,5)6/h12,16-17H,7-11H2,1-6H3.
What are the key properties of N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3-fluorobutan-1-amine?
N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3-fluorobutan-1-amine has a molecular weight of 262.41 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3-fluorobutan-1-amine is sourced from PubChem (CID 138460816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).