6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine

C14H29FN2O — CID 166654405

IUPAC6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine
SMILESC=C(F)NCCOC(C)(C)CCC(C)(C)CCN
InChIInChI=1S/C14H29FN2O/c1-12(15)17-10-11-18-14(4,5)7-6-13(2,3)8-9-16/h17H,1,6-11,16H2,2-5H3
InChIKeySVPCFERYJOYVID-UHFFFAOYSA-N
MW260.40 g/mol
LogP2.97
Rot. Bonds10

About 6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine

6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine (PubChem CID 166654405) has the molecular formula C14H29FN2O and a molecular weight of 260.40 g/mol. Its IUPAC name is 6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine.

Molecular Properties

Compound Name6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine
PubChem CID166654405
Molecular FormulaC14H29FN2O
Molecular Weight260.40 g/mol
Exact Mass260.23
IUPAC Name6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine
SMILESC=C(F)NCCOC(C)(C)CCC(C)(C)CCN
InChIInChI=1S/C14H29FN2O/c1-12(15)17-10-11-18-14(4,5)7-6-13(2,3)8-9-16/h17H,1,6-11,16H2,2-5H3
InChIKeySVPCFERYJOYVID-UHFFFAOYSA-N
XLogP2.97
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-3-(3-methylbut-3-enoxy)butan-1-amine
CID 155082784
6-amino-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexanamide
CID 65291287
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methyl-N-[2-[2-methyl-4-[2-methyl-5-[2-[2-methyl-4-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxybutan-2-yl]oxyethylamino]-5-oxopentan-2-yl]oxybutan-2-yl]oxyethyl]pentanamide
CID 138710128
3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine
CID 91197205
N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide
CID 122606411
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylpentan-1-amine
CID 88566862
N-tert-butyl-3,3,6-trimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-1-amine
CID 146180137
N-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide
CID 129027495
2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyethylcarbamic acid
CID 123941511
[5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid
CID 175166936
2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropan-1-ol
CID 142624921
6-amino-N-(2-cyclopentyloxyethyl)-4,4-dimethylhexanamide
CID 65291239

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine?
The IUPAC name of 6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine (CID 166654405) is 6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine.
What is the SMILES notation for 6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine?
The canonical SMILES for 6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine is C=C(F)NCCOC(C)(C)CCC(C)(C)CCN.
What is the InChIKey of 6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine?
The InChIKey is SVPCFERYJOYVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2O/c1-12(15)17-10-11-18-14(4,5)7-6-13(2,3)8-9-16/h17H,1,6-11,16H2,2-5H3.
What are the key properties of 6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine?
6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine has a molecular weight of 260.40 g/mol, XLogP of 2.97, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine is sourced from PubChem (CID 166654405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).